Authors: Thomas Most, Johannes Will
Abstract: In real case applications within the virtual prototyping process, it is not always possible to reduce the complexity of the physical models and to obtain numerical models which can be solved quickly. Usually, every single numerical simulation takes hours or even days. Although the progresses in numerical methods and high performance computing, in such cases, it is not possible to explore various model configurations, hence efficient surrogate models are required. Generally the available meta-model techniques show several advantages and disadvantages depending on the investigated problem. In this paper we present an automatic approach for the selection of the optimal suitable meta-model for the actual problem. Together with an automatic reduction of the variable space using advanced filter techniques an efficient approximation is enabled also for high dimensional problems.
Authors: Jinchuan Zhang, Tianqi Wan, Chong Mu, Guangxi Lu, Ling Tian
Abstract: Temporal Knowledge Graphs (TKGs) incorporate temporal information to reflect the dynamic structural knowledge and evolutionary patterns of real-world facts. Nevertheless, TKGs are still limited in downstream applications due to the problem of incompleteness. Consequently, TKG completion (also known as link prediction) has been widely studied, with recent research focusing on incorporating independent embeddings of time or combining them with entities and relations to form temporal representations. However, most existing methods overlook the impact of history from a multi-granularity aspect. The inherent semantics of human-defined temporal granularities, such as ordinal dates, reveal general patterns to which facts typically adhere. To counter this limitation, this paper proposes \textbf{L}earning \textbf{G}ranularity \textbf{Re}presentation (termed $\mathsf{LGRe}$) for TKG completion. It comprises two main components: Granularity Representation Learning (GRL) and Adaptive Granularity Balancing (AGB). Specifically, GRL employs time-specific multi-layer convolutional neural networks to capture interactions between entities and relations at different granularities. After that, AGB generates adaptive weights for these embeddings according to temporal semantics, resulting in expressive representations of predictions. Moreover, to reflect similar semantics of adjacent timestamps, a temporal loss function is introduced. Extensive experimental results on four event benchmarks demonstrate the effectiveness of $\mathsf{LGRe}$ in learning time-related representations. To ensure reproducibility, our code is available at https://github.com/KcAcoZhang/LGRe.
Authors: Christos Theodoropoulos, Natasha Mulligan, Joao Bettencourt-Silva
Abstract: Developing novel predictive models with complex biomedical information is challenging due to various idiosyncrasies related to heterogeneity, standardization or sparseness of the data. We previously introduced a person-centric ontology to organize information about individual patients, and a representation learning framework to extract person-centric knowledge graphs (PKGs) and to train Graph Neural Networks (GNNs). In this paper, we propose a systematic approach to examine the results of GNN models trained with both structured and unstructured information from the MIMIC-III dataset. Through ablation studies on different clinical, demographic, and social data, we show the robustness of this approach in identifying predictive features in PKGs for the task of readmission prediction.
Authors: Maxim Zhelnin, Viktor Moskvoretskii, Egor Shvetsov, Egor Venediktov, Mariya Krylova, Aleksandr Zuev, Evgeny Burnaev
Abstract: Parameter Efficient Fine-Tuning (PEFT) methods have gained popularity and democratized the usage of Large Language Models (LLMs). Recent studies have shown that a small subset of weights significantly impacts performance. Based on this observation, we introduce a novel PEFT method, called Gaussian noise Injected Fine Tuning of Salient Weights (GIFT-SW). Our method updates only salient columns, while injecting Gaussian noise into non-salient ones. To identify these columns, we developeda generalized sensitivity metric that extends and unifies metrics from previous studies. Experiments with LLaMA models demonstrate that GIFT-SW outperforms full fine-tuning and modern PEFT methods under the same computational budget. Moreover, GIFT-SW offers practical advantages to recover performance of models subjected to mixed-precision quantization with keeping salient weights in full precision.
Authors: Minghai Qin
Abstract: We have observed a distinctive quantization-related behavior in the LLaMA3/3.1-70B models that is absent in both the LLaMA2-70B and LLaMA3/3.1-8B/405B models. Quantization is a crucial technique for deploying large language models (LLMs) efficiently. Among various bit widths and representations for weights and activations, the 8-bit integer weight and 8-bit integer activation (W8A8) configuration is particularly popular due to its widespread hardware support. However, the impact of W8A8 post-training quantization on model accuracy remains contentious. While several studies have suggested calibrating either weights or activations to mitigate accuracy degradation, a comprehensive solution has yet to be identified. In this paper, we empirically investigate multiple LLMs featured on an open LLM leaderboard, discovering that the LLaMA3-70B model series have a unique accuracy degradation behavior with W8A8 per-channel post-training quantization. In contrast, other model series such as LLaMA2, LLaMA3-8B, Qwen, Mixtral, Mistral, Phi-3, and Falcon demonstrate robust performance with W8A8, sometimes surpassing their FP16 counterparts. Contrary to previous assertions attributing degradation to the large dynamic range of activations, our findings indicate that the weight distribution of the LLaMA3-70B is the primary factor behind the vulnerability. By meticulously analyzing the distinct characteristics of weight distributions across Transformer blocks, we propose a mixed strategy with less than 3% of the layers enabling finer W8A8 quantization granularity, while the remaining 97% of layers retain the per-channel configuration. As a result, the average accuracy of LLaMA3-70B-W8A8 is increased from 45.5% to 73.4% (just 0.7% shy of LLaMA3-70B-FP16) across eight reasoning tasks. Notably, our method requires neither calibration nor fine-tuning.
Authors: Sakhinana Sagar Srinivas, Chidaksh Ravuru, Geethan Sannidhi, Venkataramana Runkana
Abstract: Semiconductors, crucial to modern electronics, are generally under-researched in foundational models. It highlights the need for research to enhance the semiconductor device technology portfolio and aid in high-end device fabrication. In this paper, we introduce sLAVA, a small-scale vision-language assistant tailored for semiconductor manufacturing, with a focus on electron microscopy image analysis. It addresses challenges of data scarcity and acquiring high-quality, expert-annotated data. We employ a teacher-student paradigm, using a foundational vision language model like GPT-4 as a teacher to create instruction-following multimodal data for customizing the student model, sLAVA, for electron microscopic image analysis tasks on consumer hardware with limited budgets. Our approach allows enterprises to further fine-tune the proposed framework with their proprietary data securely within their own infrastructure, protecting intellectual property. Rigorous experiments validate that our framework surpasses traditional methods, handles data shifts, and enables high-throughput screening.
Authors: Ali Shehper, Anibal M. Medina-Mardones, Bart{\l}omiej Lewandowski, Angus Gruen, Piotr Kucharski, Sergei Gukov
Abstract: Using a long-standing conjecture from combinatorial group theory, we explore, from multiple angles, the challenges of finding rare instances carrying disproportionately high rewards. Based on lessons learned in the mathematical context defined by the Andrews-Curtis conjecture, we propose algorithmic improvements that can be relevant in other domains with ultra-sparse reward problems. Although our case study can be formulated as a game, its shortest winning sequences are potentially $10^6$ or $10^9$ times longer than those encountered in chess. In the process of our study, we demonstrate that one of the potential counterexamples due to Akbulut and Kirby, whose status escaped direct mathematical methods for 39 years, is stably AC-trivial.
Authors: Zhichao Wang, Bin Bi, Can Huang, Shiva Kumar Pentyala, Zixu James Zhu, Sitaram Asur, Na Claire Cheng
Abstract: An LLM is pretrained on trillions of tokens, but the pretrained LLM may still generate undesired responses. To solve this problem, alignment techniques such as RLHF, DPO and KTO are proposed. However, these alignment techniques have limitations. For example, RLHF requires training the reward model and policy separately, which is complex, time-consuming, memory intensive and unstable during training processes. DPO proposes a mapping between an optimal policy and a reward, greatly simplifying the training process of RLHF. However, it can not take full advantages of a reward model and it is limited to pairwise preference data. In this paper, we propose \textbf{UN}ified \textbf{A}lignment (UNA) which unifies RLHF/PPO, DPO and KTO. Firstly, we mathematically prove that given the classical RLHF objective, the optimal policy is induced by a generalize implicit reward function. With this novel mapping between a reward model and an optimal policy, UNA can 1. unify RLHF/PPO, DPO and KTO into a supervised learning of minimizing the difference between an implicit reward and an explicit reward; 2. outperform RLHF/PPO while simplify, stabilize, speed up and reduce memory burden of RL fine-tuning process; 3. accommodate different feedback types including pairwise, binary and scalar feedback. Downstream experiments show UNA outperforms DPO, KTO and RLHF.
Authors: George A. Kevrekidis, Eleni D. Koronaki, Yannis G. Kevrekidis
Abstract: For multiple scientific endeavors it is common to measure a phenomenon of interest in more than one ways. We make observations of objects from several different perspectives in space, at different points in time; we may also measure different properties of a mixture using different types of instruments. After collecting this heterogeneous information, it is necessary to be able to synthesize a complete picture of what is `common' across its sources: the subject we ultimately want to study. However, isolated (`clean') observations of a system are not always possible: observations often contain information about other systems in its environment, or about the measuring instruments themselves. In that sense, each observation may contain information that `does not matter' to the original object of study; this `uncommon' information between sensors observing the same object may still be important, and decoupling it from the main signal(s) useful. We introduce a neural network autoencoder framework capable of both tasks: it is structured to identify `common' variables, and, making use of orthogonality constraints to define geometric independence, to also identify disentangled `uncommon' information originating from the heterogeneous sensors. We demonstrate applications in several computational examples.
Authors: Lorenzo Simone, Luca Miglior, Vincenzo Gervasi, Luca Moroni, Emanuele Vignali, Emanuele Gasparotti, Simona Celi
Abstract: This research introduces an innovative method for the early screening of cardiorespiratory diseases based on an acquisition protocol, which leverages commodity smartphone's Inertial Measurement Units (IMUs) and deep learning techniques. We collected, in a clinical setting, a dataset featuring recordings of breathing kinematics obtained by accelerometer and gyroscope readings from five distinct body regions. We propose an end-to-end deep learning pipeline for early cardiorespiratory disease screening, incorporating a preprocessing step segmenting the data into individual breathing cycles, and a recurrent bidirectional module capturing features from diverse body regions. We employed Leave-one-out-cross-validation with Bayesian optimization for hyperparameter tuning and model selection. The experimental results consistently demonstrated the superior performance of a bidirectional Long-Short Term Memory (Bi-LSTM) as a feature encoder architecture, yielding an average sensitivity of $0.81 \pm 0.02$, specificity of $0.82 \pm 0.05$, F1 score of $0.81 \pm 0.02$, and accuracy of $80.2\% \pm 3.9$ across diverse seed variations. We also assessed generalization capabilities on a skewed distribution, comprising exclusively healthy patients not used in training, revealing a true negative rate of $74.8 \% \pm 4.5$. The sustained accuracy of predictions over time during breathing cycles within a single patient underscores the efficacy of the preprocessing strategy, highlighting the model's ability to discern significant patterns throughout distinct phases of the respiratory cycle. This investigation underscores the potential usefulness of widely available smartphones as devices for timely cardiorespiratory disease screening in the general population, in at-home settings, offering crucial assistance to public health efforts (especially during a pandemic outbreaks, such as the recent COVID-19).
Authors: Vanshaj Khattar, Ming Jin
Abstract: Offline reinforcement learning (RL) is a promising approach for many control applications but faces challenges such as limited data coverage and value function overestimation. In this paper, we propose an implicit actor-critic (iAC) framework that employs optimization solution functions as a deterministic policy (actor) and a monotone function over the optimal value of optimization as a critic. By encoding optimality in the actor policy, we show that the learned policies are robust to the suboptimality of the learned actor parameters via the exponentially decaying sensitivity (EDS) property. We obtain performance guarantees for the proposed iAC framework and show its benefits over general function approximation schemes. Finally, we validate the proposed framework on two real-world applications and show a significant improvement over state-of-the-art (SOTA) offline RL methods.
Authors: Hung-Yueh Chiang, Diana Marculescu
Abstract: Designing low-latency and high-efficiency hybrid networks for a variety of low-cost commodity edge devices is both costly and tedious, leading to the adoption of hardware-aware neural architecture search (NAS) for finding optimal architectures. However, unifying NAS for a wide range of edge devices presents challenges due to the variety of hardware designs, supported operations, and compilation optimizations. Existing methods often fix the search space of architecture choices (e.g., activation, convolution, or self-attention) and estimate latency using hardware-agnostic proxies (e.g., FLOPs), which fail to achieve proclaimed latency across various edge devices. To address this issue, we propose SCAN-Edge, a unified NAS framework that jointly searches for self-attention, convolution, and activation to accommodate the wide variety of edge devices, including CPU-, GPU-, and hardware accelerator-based systems. To handle the large search space, SCAN-Edge relies on with a hardware-aware evolutionary algorithm that improves the quality of the search space to accelerate the sampling process. Experiments on large-scale datasets demonstrate that our hybrid networks match the actual MobileNetV2 latency for 224x224 input resolution on various commodity edge devices.
Authors: Diego Dimer Rodrigues
Abstract: Machine learning (ML) is a growing field of computer science that has found many practical applications in several domains, including Health. However, as data grows in size and availability, and the number of models that aim to aid or replace human decisions, it raises the concern that these models can be susceptible to bias, which can lead to harm to specific individuals by basing its decisions on protected attributes such as gender, religion, sexual orientation, ethnicity, and others. Visualization techniques might generate insights and help summarize large datasets, enabling data scientists to understand the data better before training a model by evaluating pre-training metrics applied to the datasets before training, which might contribute to identifying potential harm before any effort is put into training and deploying the models. This work uses the severe acute respiratory syndrome dataset from OpenDataSUS to visualize three pre-training bias metrics and their distribution across different regions in Brazil. A random forest model is trained in each region and applied to the others. The aim is to compare the bias for the different regions, focusing on their protected attributes and comparing the model's performance with the metric values.
Authors: Soumya Basu, Ankit Singh Rawat, Manzil Zaheer
Abstract: Modern ML systems increasingly augment input instances with additional relevant information to enhance final prediction. Despite growing interest in such retrieval-augmented models, their fundamental properties and training are not well understood. We propose a statistical framework to study such models with two components: 1) a {\em retriever} to identify the relevant information out of a large corpus via a data-dependent metric; and 2) a {\em predictor} that consumes the input instances along with the retrieved information to make the final predictions. We present a principled method for end-to-end training of both components and draw connections with various training approaches in the literature. Furthermore, we establish excess risk bounds for retrieval-augmented models while delineating the contributions of both retriever and predictor towards the model performance. We validate the utility of our proposed training methods along with the key takeaways from our statistical analysis on open domain question answering task where retrieval augmentation is important.
Authors: Jan H\r{u}la, David Moj\v{z}\'i\v{s}ek, Mikol\'a\v{s} Janota
Abstract: The paper deals with the interpretability of Graph Neural Networks in the context of Boolean Satisfiability. The goal is to demystify the internal workings of these models and provide insightful perspectives into their decision-making processes. This is done by uncovering connections to two approximation algorithms studied in the domain of Boolean Satisfiability: Belief Propagation and Semidefinite Programming Relaxations. Revealing these connections has empowered us to introduce a suite of impactful enhancements. The first significant enhancement is a curriculum training procedure, which incrementally increases the problem complexity in the training set, together with increasing the number of message passing iterations of the Graph Neural Network. We show that the curriculum, together with several other optimizations, reduces the training time by more than an order of magnitude compared to the baseline without the curriculum. Furthermore, we apply decimation and sampling of initial embeddings, which significantly increase the percentage of solved problems.
Authors: Felix Pfeiffer, Shahram Eivazi
Abstract: The tuning of hyperparameters in reinforcement learning (RL) is critical, as these parameters significantly impact an agent's performance and learning efficiency. Dynamic adjustment of hyperparameters during the training process can significantly enhance both the performance and stability of learning. Population-based training (PBT) provides a method to achieve this by continuously tuning hyperparameters throughout the training. This ongoing adjustment enables models to adapt to different learning stages, resulting in faster convergence and overall improved performance. In this paper, we propose an enhancement to PBT by simultaneously utilizing both first- and second-order optimizers within a single population. We conducted a series of experiments using the TD3 algorithm across various MuJoCo environments. Our results, for the first time, empirically demonstrate the potential of incorporating second-order optimizers within PBT-based RL. Specifically, the combination of the K-FAC optimizer with Adam led to up to a 10% improvement in overall performance compared to PBT using only Adam. Additionally, in environments where Adam occasionally fails, such as the Swimmer environment, the mixed population with K-FAC exhibited more reliable learning outcomes, offering a significant advantage in training stability without a substantial increase in computational time.
Authors: Ali Zand, Milad Nasr
Abstract: Generative image models, since introduction, have become a global phenomenon. From new arts becoming possible to new vectors of abuse, many new capabilities have become available. One of the challenging issues with generative models is controlling the generation process specially to prevent specific generations classes or instances . There are several reasons why one may want to control the output of generative models, ranging from privacy and safety concerns to application limitations or user preferences To address memorization and privacy challenges, there has been considerable research dedicated to filtering prompts or filtering the outputs of these models. What all these solutions have in common is that at the end of the day they stop the model from producing anything, hence limiting the usability of the model. In this paper, we propose a method for addressing this usability issue by making it possible to steer away from unwanted concepts (when detected in model's output) and still generating outputs. In particular we focus on the latent diffusion image generative models and how one can prevent them to generate particular images while generating similar images with limited overhead. We focus on mitigating issues like image memorization, demonstrating our technique's effectiveness through qualitative and quantitative evaluations. Our method successfully prevents the generation of memorized training images while maintaining comparable image quality and relevance to the unmodified model.
Authors: Yiran Qiao, Yu Yin, Chen Chen, Jing Ma
Abstract: While machine learning models have proven effective across various scenarios, it is widely acknowledged that many models are vulnerable to adversarial attacks. Recently, there have emerged numerous efforts in adversarial defense. Among them, certified defense is well known for its theoretical guarantees against arbitrary adversarial perturbations on input within a certain range (e.g., $l_2$ ball). However, most existing works in this line struggle to generalize their certified robustness in other data domains with distribution shifts. This issue is rooted in the difficulty of eliminating the negative impact of spurious correlations on robustness in different domains. To address this problem, in this work, we propose a novel certified defense framework GLEAN, which incorporates a causal perspective into the generalization problem in certified defense. More specifically, our framework integrates a certifiable causal factor learning component to disentangle the causal relations and spurious correlations between input and label, and thereby exclude the negative effect of spurious correlations on defense. On top of that, we design a causally certified defense strategy to handle adversarial attacks on latent causal factors. In this way, our framework is not only robust against malicious noises on data in the training distribution but also can generalize its robustness across domains with distribution shifts. Extensive experiments on benchmark datasets validate the superiority of our framework in certified robustness generalization in different data domains. Code is available in the supplementary materials.
Authors: Alek Fr\"ohlich, Thiago Ramos, Gustavo Cabello, Isabela Buzatto, Rafael Izbicki, Daniel Tiezzi
Abstract: Correctly assessing the malignancy of breast lesions identified during ultrasound examinations is crucial for effective clinical decision-making. However, the current "golden standard" relies on manual BI-RADS scoring by clinicians, often leading to unnecessary biopsies and a significant mental health burden on patients and their families. In this paper, we introduce PersonalizedUS, an interpretable machine learning system that leverages recent advances in conformal prediction to provide precise and personalized risk estimates with local coverage guarantees and sensitivity, specificity, and predictive values above 0.9 across various threshold levels. In particular, we identify meaningful lesion subgroups where distribution-free, model-agnostic conditional coverage holds, with approximately 90% of our prediction sets containing only the ground truth in most lesion subgroups, thus explicitly characterizing for which patients the model is most suitably applied. Moreover, we make available a curated tabular dataset of 1936 biopsied breast lesions from a recent observational multicenter study and benchmark the performance of several state-of-the-art learning algorithms. We also report a successful case study of the deployed system in the same multicenter context. Concrete clinical benefits include up to a 65% reduction in requested biopsies among BI-RADS 4a and 4b lesions, with minimal to no missed cancer cases.
Authors: Liu Ziyin, Yizhou Xu, Isaac Chuang
Abstract: When symmetry is present in the loss function, the model is likely to be trapped in a low-capacity state that is sometimes known as a "collapse." Being trapped in these low-capacity states can be a major obstacle to training across many scenarios where deep learning technology is applied. We first prove two concrete mechanisms through which symmetries lead to reduced capacities and ignored features during training. We then propose a simple and theoretically justified algorithm, syre, to remove almost all symmetry-induced low-capacity states in neural networks. The proposed method is shown to improve the training of neural networks in scenarios when this type of entrapment is especially a concern. A remarkable merit of the proposed method is that it is model-agnostic and does not require any knowledge of the symmetry.
Authors: Yijun Zhou, Om Arora-Jain, Xia Jiang
Abstract: While machine learning has advanced in medicine, its widespread use in clinical applications, especially in predicting breast cancer metastasis, is still limited. We have been dedicated to constructing a DFNN model to predict breast cancer metastasis n years in advance. However, the challenge lies in efficiently identifying optimal hyperparameter values through grid search, given the constraints of time and resources. Issues such as the infinite possibilities for continuous hyperparameters like l1 and l2, as well as the time-consuming and costly process, further complicate the task. To address these challenges, we developed Single Hyperparameter Grid Search (SHGS) strategy, serving as a preselection method before grid search. Our experiments with SHGS applied to DFNN models for breast cancer metastasis prediction focus on analyzing eight target hyperparameters: epochs, batch size, dropout, L1, L2, learning rate, decay, and momentum. We created three figures, each depicting the experiment results obtained from three LSM-I-10-Plus-year datasets. These figures illustrate the relationship between model performance and the target hyperparameter values. For each hyperparameter, we analyzed whether changes in this hyperparameter would affect model performance, examined if there were specific patterns, and explored how to choose values for the particular hyperparameter. Our experimental findings reveal that the optimal value of a hyperparameter is not only dependent on the dataset but is also significantly influenced by the settings of other hyperparameters. Additionally, our experiments suggested some reduced range of values for a target hyperparameter, which may be helpful for low-budget grid search. This approach serves as a prior experience and foundation for subsequent use of grid search to enhance model performance.
Authors: Yifu Yuan, Zhenrui Zheng, Zibin Dong, Jianye Hao
Abstract: Multi-objective Reinforcement Learning (MORL) seeks to develop policies that simultaneously optimize multiple conflicting objectives, but it requires extensive online interactions. Offline MORL provides a promising solution by training on pre-collected datasets to generalize to any preference upon deployment. However, real-world offline datasets are often conservatively and narrowly distributed, failing to comprehensively cover preferences, leading to the emergence of out-of-distribution (OOD) preference areas. Existing offline MORL algorithms exhibit poor generalization to OOD preferences, resulting in policies that do not align with preferences. Leveraging the excellent expressive and generalization capabilities of diffusion models, we propose MODULI (Multi-objective Diffusion Planner with Sliding Guidance), which employs a preference-conditioned diffusion model as a planner to generate trajectories that align with various preferences and derive action for decision-making. To achieve accurate generation, MODULI introduces two return normalization methods under diverse preferences for refining guidance. To further enhance generalization to OOD preferences, MODULI proposes a novel sliding guidance mechanism, which involves training an additional slider adapter to capture the direction of preference changes. Incorporating the slider, it transitions from in-distribution (ID) preferences to generating OOD preferences, patching, and extending the incomplete Pareto front. Extensive experiments on the D4MORL benchmark demonstrate that our algorithm outperforms state-of-the-art Offline MORL baselines, exhibiting excellent generalization to OOD preferences.
Authors: Marc Canby, Adam Davies, Chirag Rastogi, Julia Hockenmaier
Abstract: Causal probing is an approach to interpreting foundation models, such as large language models, by training probes to recognize latent properties of interest from embeddings, intervening on probes to modify this representation, and analyzing the resulting changes in the model's behavior. While some recent works have cast doubt on the theoretical basis of several leading causal probing intervention methods, it has been unclear how to systematically and empirically evaluate their effectiveness in practice. To address this problem, we propose a general empirical analysis framework to evaluate the reliability of causal probing interventions, formally defining and quantifying two key causal probing desiderata: completeness (fully transforming the representation of the target property) and selectivity (minimally impacting other properties). Our formalism allows us to make the first direct comparisons between different families of causal probing methods (e.g., linear vs. nonlinear or counterfactual vs. nullifying interventions). We conduct extensive experiments across several leading methods, finding that (1) there is an inherent tradeoff between these criteria, and no method is able to consistently satisfy both at once; and (2) across the board, nullifying interventions are always far less complete than counterfactual interventions, indicating that nullifying methods may not be an effective approach to causal probing.
Authors: Woojin Jeong, Seungki Min
Abstract: We consider a Bayesian budgeted multi-armed bandit problem, in which each arm consumes a different amount of resources when selected and there is a budget constraint on the total amount of resources that can be used. Budgeted Thompson Sampling (BTS) offers a very effective heuristic to this problem, but its arm-selection rule does not take into account the remaining budget information. We adopt \textit{Information Relaxation Sampling} framework that generalizes Thompson Sampling for classical $K$-armed bandit problems, and propose a series of algorithms that are randomized like BTS but more carefully optimize their decisions with respect to the budget constraint. In a one-to-one correspondence with these algorithms, a series of performance benchmarks that improve the conventional benchmark are also suggested. Our theoretical analysis and simulation results show that our algorithms (and our benchmarks) make incremental improvements over BTS (respectively, the conventional benchmark) across various settings including a real-world example.
Authors: Sihang Li, Jian Huang, Jiaxi Zhuang, Yaorui Shi, Xiaochen Cai, Mingjun Xu, Xiang Wang, Linfeng Zhang, Guolin Ke, Hengxing Cai
Abstract: Scientific literature understanding is crucial for extracting targeted information and garnering insights, thereby significantly advancing scientific discovery. Despite the remarkable success of Large Language Models (LLMs), they face challenges in scientific literature understanding, primarily due to (1) a lack of scientific knowledge and (2) unfamiliarity with specialized scientific tasks. To develop an LLM specialized in scientific literature understanding, we propose a hybrid strategy that integrates continual pre-training (CPT) and supervised fine-tuning (SFT), to simultaneously infuse scientific domain knowledge and enhance instruction-following capabilities for domain-specific tasks.cIn this process, we identify two key challenges: (1) constructing high-quality CPT corpora, and (2) generating diverse SFT instructions. We address these challenges through a meticulous pipeline, including PDF text extraction, parsing content error correction, quality filtering, and synthetic instruction creation. Applying this strategy, we present a suite of LLMs: SciLitLLM, specialized in scientific literature understanding. These models demonstrate promising performance on scientific literature understanding benchmarks. Our contributions are threefold: (1) We present an effective framework that integrates CPT and SFT to adapt LLMs to scientific literature understanding, which can also be easily adapted to other domains. (2) We propose an LLM-based synthesis method to generate diverse and high-quality scientific instructions, resulting in a new instruction set -- SciLitIns -- for supervised fine-tuning in less-represented scientific domains. (3) SciLitLLM achieves promising performance improvements on scientific literature understanding benchmarks.
Authors: Sourav Malakar, Saptarsi Goswami, Amlan Chakrabarti, Bhaswati Ganguli
Abstract: Wind flow can be highly unpredictable and can suffer substantial fluctuations in speed and direction due to the shape and height of hills, mountains, and valleys, making accurate wind speed (WS) forecasting essential in complex terrain. This paper presents a novel and adaptive model for short-term forecasting of WS. The paper's key contributions are as follows: (a) The Partial Auto Correlation Function (PACF) is utilised to minimise the dimension of the set of Intrinsic Mode Functions (IMF), hence reducing training time; (b) The sample entropy (SampEn) was used to calculate the complexity of the reduced set of IMFs. The proposed technique is adaptive since a specific Deep Learning (DL) model-feature combination was chosen based on complexity; (c) A novel bidirectional feature-LSTM framework for complicated IMFs has been suggested, resulting in improved forecasting accuracy; (d) The proposed model shows superior forecasting performance compared to the persistence, hybrid, Ensemble empirical mode decomposition (EEMD), and Variational Mode Decomposition (VMD)-based deep learning models. It has achieved the lowest variance in terms of forecasting accuracy between simple and complex terrain conditions 0.70%. Dimension reduction of IMF's and complexity-based model-feature selection helps reduce the training time by 68.77% and improve forecasting quality by 58.58% on average.
Authors: Yungi Cho, Woorim Han, Miseon Yu, Ho Bae, Yunheung Paek
Abstract: Vertical Federated Learning (VFL) focuses on handling vertically partitioned data over FL participants. Recent studies have discovered a significant vulnerability in VFL to backdoor attacks which specifically target the distinct characteristics of VFL. Therefore, these attacks may neutralize existing defense mechanisms designed primarily for Horizontal Federated Learning (HFL) and deep neural networks. In this paper, we present the first backdoor defense, called VFLIP, specialized for VFL. VFLIP employs the identification and purification techniques that operate at the inference stage, consequently improving the robustness against backdoor attacks to a great extent. VFLIP first identifies backdoor-triggered embeddings by adopting a participant-wise anomaly detection approach. Subsequently, VFLIP conducts purification which removes the embeddings identified as malicious and reconstructs all the embeddings based on the remaining embeddings. We conduct extensive experiments on CIFAR10, CINIC10, Imagenette, NUS-WIDE, and BankMarketing to demonstrate that VFLIP can effectively mitigate backdoor attacks in VFL. https://github.com/blingcho/VFLIP-esorics24
Authors: Minjong Yoo, Sangwoo Cho, Honguk Woo
Abstract: Reinforcement learning (RL) with diverse offline datasets can have the advantage of leveraging the relation of multiple tasks and the common skills learned across those tasks, hence allowing us to deal with real-world complex problems efficiently in a data-driven way. In offline RL where only offline data is used and online interaction with the environment is restricted, it is yet difficult to achieve the optimal policy for multiple tasks, especially when the data quality varies for the tasks. In this paper, we present a skill-based multi-task RL technique on heterogeneous datasets that are generated by behavior policies of different quality. To learn the shareable knowledge across those datasets effectively, we employ a task decomposition method for which common skills are jointly learned and used as guidance to reformulate a task in shared and achievable subtasks. In this joint learning, we use Wasserstein auto-encoder (WAE) to represent both skills and tasks on the same latent space and use the quality-weighted loss as a regularization term to induce tasks to be decomposed into subtasks that are more consistent with high-quality skills than others. To improve the performance of offline RL agents learned on the latent space, we also augment datasets with imaginary trajectories relevant to high-quality skills for each task. Through experiments, we show that our multi-task offline RL approach is robust to the mixed configurations of different-quality datasets and it outperforms other state-of-the-art algorithms for several robotic manipulation tasks and drone navigation tasks.
Authors: Yuchang Sun, Yuexiang Xie, Bolin Ding, Yaliang Li, Jun Zhang
Abstract: Federated learning (FL) has emerged as a promising paradigm for fine-tuning foundation models using distributed data in a privacy-preserving manner. Under limited computational resources, clients often find it more practical to fine-tune a selected subset of layers, rather than the entire model, based on their task-specific data. In this study, we provide a thorough theoretical exploration of selective layer fine-tuning in FL, emphasizing a flexible approach that allows the clients to adjust their selected layers according to their local data and resources. We theoretically demonstrate that the layer selection strategy has a significant impact on model convergence in two critical aspects: the importance of selected layers and the heterogeneous choices across clients. Drawing from these insights, we further propose a strategic layer selection method that utilizes local gradients and regulates layer selections across clients. The extensive experiments on both image and text datasets demonstrate the effectiveness of the proposed strategy compared with several baselines, highlighting its advances in identifying critical layers that adapt to the client heterogeneity and training dynamics in FL.
Authors: Dang Viet Anh Nguyen, J. Victor Flensburg, Fabrizio Cerreto, Bianca Pascariu, Paola Pellegrini, Carlos Lima Azevedo, Filipe Rodrigues
Abstract: With the expansion of cities over time, URT (Urban Rail Transit) networks have also grown significantly. Demand prediction plays an important role in supporting planning, scheduling, fleet management, and other operational decisions. In this study, we propose an Origin-Destination (OD) demand prediction model called Multi-Graph Inductive Representation Learning (mGraphSAGE) for large-scale URT networks under operational uncertainties. Our main contributions are twofold: we enhance prediction results while ensuring scalability for large networks by relying simultaneously on multiple graphs, where each OD pair is a node on a graph and distinct OD relationships, such as temporal and spatial correlations; we show the importance of including operational uncertainties such as train delays and cancellations as inputs in demand prediction for daily operations. The model is validated on three different scales of the URT network in Copenhagen, Denmark. Experimental results show that by leveraging information from neighboring ODs and learning node representations via sampling and aggregation, mGraphSAGE is particularly suitable for OD demand prediction in large-scale URT networks, outperforming reference machine learning methods. Furthermore, during periods with train cancellations and delays, the performance gap between mGraphSAGE and other methods improves compared to normal operating conditions, demonstrating its ability to leverage system reliability information for predicting OD demand under uncertainty.
Authors: Yeon-Chang Lee, JaeHyun Lee, Michiharu Yamashita, Dongwon Lee, Sang-Wook Kim
Abstract: The problem of career trajectory prediction (CTP) aims to predict one's future employer or job position. While several CTP methods have been developed for this problem, we posit that none of these methods (1) jointly considers the mutual ternary dependency between three key units (i.e., user, position, and company) of a career and (2) captures the characteristic shifts of key units in career over time, leading to an inaccurate understanding of the job movement patterns in the labor market. To address the above challenges, we propose a novel solution, named as CAPER, that solves the challenges via sophisticated temporal knowledge graph (TKG) modeling. It enables the utilization of a graph-structured knowledge base with rich expressiveness, effectively preserving the changes in job movement patterns. Furthermore, we devise an extrapolated career reasoning task on TKG for a realistic evaluation. The experiments on a real-world career trajectory dataset demonstrate that CAPER consistently and significantly outperforms four baselines, two recent TKG reasoning methods, and five state-of-the-art CTP methods in predicting one's future companies and positions-i.e., on average, yielding 6.80% and 34.58% more accurate predictions, respectively.
Authors: Yan Sun, Li Shen, Dacheng Tao
Abstract: Federated learning (FL) is an efficient collaborative training paradigm extensively developed with a focus on local privacy protection, and differential privacy (DP) is a classical approach to capture and ensure the reliability of local privacy. The powerful cooperation of FL and DP provides a promising learning framework for large-scale private clients, juggling both privacy securing and trustworthy learning. As the predominant algorithm of DP, the noisy perturbation has been widely studied and incorporated into various federated algorithms, theoretically proven to offer significant privacy protections. However, existing analyses in noisy FL-DP mostly rely on the composition theorem and cannot tightly quantify the privacy leakage challenges, which is nearly tight for small numbers of communication rounds but yields an arbitrarily loose and divergent bound under the large communication rounds. This implies a counterintuitive judgment, suggesting that FL may not provide adequate privacy protection during long-term training. To further investigate the convergent privacy and reliability of the FL-DP framework, in this paper, we comprehensively evaluate the worst privacy of two classical methods under the non-convex and smooth objectives based on the f-DP analysis, i.e. Noisy-FedAvg and Noisy-FedProx methods. With the aid of the shifted-interpolation technique, we successfully prove that the worst privacy of the Noisy-FedAvg method achieves a tight convergent lower bound. Moreover, in the Noisy-FedProx method, with the regularization of the proxy term, the worst privacy has a stable constant lower bound. Our analysis further provides a solid theoretical foundation for the reliability of privacy protection in FL-DP. Meanwhile, our conclusions can also be losslessly converted to other classical DP analytical frameworks, e.g. $(\epsilon,\delta)$-DP and R$\acute{\text{e}}$nyi-DP (RDP).
Authors: Anis Bourou, Auguste Genovesio, Val\'erie Mezger
Abstract: In recent years, Generative Adversarial Networks (GANs) have seen significant advancements, leading to their widespread adoption across various fields. The original GAN architecture enables the generation of images without any specific control over the content, making it an unconditional generation process. However, many practical applications require precise control over the generated output, which has led to the development of conditional GANs (cGANs) that incorporate explicit conditioning to guide the generation process. cGANs extend the original framework by incorporating additional information (conditions), enabling the generation of samples that adhere to that specific criteria. Various conditioning methods have been proposed, each differing in how they integrate the conditioning information into both the generator and the discriminator networks. In this work, we review the conditioning methods proposed for GANs, exploring the characteristics of each method and highlighting their unique mechanisms and theoretical foundations. Furthermore, we conduct a comparative analysis of these methods, evaluating their performance on various image datasets. Through these analyses, we aim to provide insights into the strengths and limitations of various conditioning techniques, guiding future research and application in generative modeling.
Authors: Lean Wang, Huazuo Gao, Chenggang Zhao, Xu Sun, Damai Dai
Abstract: For Mixture-of-Experts (MoE) models, an unbalanced expert load will lead to routing collapse or increased computational overhead. Existing methods commonly employ an auxiliary loss to encourage load balance, but a large auxiliary loss will introduce non-negligible interference gradients into training and thus impair the model performance. In order to control load balance while not producing undesired gradients during training, we propose Loss-Free Balancing, featured by an auxiliary-loss-free load balancing strategy. To be specific, before the top-K routing decision, Loss-Free Balancing will first apply an expert-wise bias to the routing scores of each expert. By dynamically updating the bias of each expert according to its recent load, Loss-Free Balancing can consistently maintain a balanced distribution of expert load. In addition, since Loss-Free Balancing does not produce any interference gradients, it also elevates the upper bound of model performance gained from MoE training. We validate the performance of Loss-Free Balancing on MoE models with up to 3B parameters trained on up to 200B tokens. Experimental results show that Loss-Free Balancing achieves both better performance and better load balance compared with traditional auxiliary-loss-controlled load balancing strategies.
Authors: Weiyou Liu, Zhenyang Li, Weitong Chen
Abstract: Deep Neural Networks have demonstrated remarkable success in various domains but remain susceptible to adversarial examples, which are slightly altered inputs designed to induce misclassification. While adversarial attacks typically optimize under Lp norm constraints, attacks based on the L0 norm, prioritising input sparsity, are less studied due to their complex and non convex nature. These sparse adversarial examples challenge existing defenses by altering a minimal subset of features, potentially uncovering more subtle DNN weaknesses. However, the current L0 norm attack methodologies face a trade off between accuracy and efficiency either precise but computationally intense or expedient but imprecise. This paper proposes a novel, scalable, and effective approach to generate adversarial examples based on the L0 norm, aimed at refining the robustness evaluation of DNNs against such perturbations.
Authors: Yi Hong Teoh, Roger G. Melko
Abstract: Autoregressive models are a class of generative model that probabilistically predict the next output of a sequence based on previous inputs. The autoregressive sequence is by definition one-dimensional (1D), which is natural for language tasks and hence an important component of modern architectures like recurrent neural networks (RNNs) and transformers. However, when language models are used to predict outputs on physical systems that are not intrinsically 1D, the question arises of which choice of autoregressive sequence -- if any -- is optimal. In this paper, we study the reconstruction of critical correlations in the two-dimensional (2D) Ising model, using RNNs and transformers trained on binary spin data obtained near the thermal phase transition. We compare the training performance for a number of different 1D autoregressive sequences imposed on finite-size 2D lattices. We find that paths with long 1D segments are more efficient at training the autoregressive models compared to space-filling curves that better preserve the 2D locality. Our results illustrate the potential importance in choosing the optimal autoregressive sequence ordering when training modern language models for tasks in physics.
Authors: Abid Hasan Zim, Aquib Iqbal, Asad Malik, Zhicheng Dong, Hanzhou Wu
Abstract: Global environmental challenges and rising energy demands have led to extensive exploration of wind energy technologies. Accurate wind speed forecasting (WSF) is crucial for optimizing wind energy capture and ensuring system stability. However, predicting wind speed remains challenging due to its inherent randomness, fluctuation, and unpredictability. This study proposes the Temporal Convolutional Network Former (TCNFormer) for short-term (12-hour) wind speed forecasting. The TCNFormer integrates the Temporal Convolutional Network (TCN) and transformer encoder to capture the spatio-temporal features of wind speed. The transformer encoder consists of two distinct attention mechanisms: causal temporal multi-head self-attention (CT-MSA) and temporal external attention (TEA). CT-MSA ensures that the output of a step derives only from previous steps, i.e., causality. Locality is also introduced to improve efficiency. TEA explores potential relationships between different sample sequences in wind speed data. This study utilizes wind speed data from the NASA Prediction of Worldwide Energy Resources (NASA POWER) of Patenga Sea Beach, Chittagong, Bangladesh (latitude 22.2352{\deg} N, longitude 91.7914{\deg} E) over a year (six seasons). The findings indicate that the TCNFormer outperforms state-of-the-art models in prediction accuracy. The proposed TCNFormer presents a promising method for spatio-temporal WSF and may achieve desirable performance in real-world applications of wind power systems.
Authors: Omer Rochman Sharabi, Sacha Lewin, Gilles Louppe
Abstract: Mesh-free Lagrangian methods are widely used for simulating fluids, solids, and their complex interactions due to their ability to handle large deformations and topological changes. These physics simulators, however, require substantial computational resources for accurate simulations. To address these issues, deep learning emulators promise faster and scalable simulations, yet they often remain expensive and difficult to train, limiting their practical use. Inspired by the Material Point Method (MPM), we present NeuralMPM, a neural emulation framework for particle-based simulations. NeuralMPM interpolates Lagrangian particles onto a fixed-size grid, computes updates on grid nodes using image-to-image neural networks, and interpolates back to the particles. Similarly to MPM, NeuralMPM benefits from the regular voxelized representation to simplify the computation of the state dynamics, while avoiding the drawbacks of mesh-based Eulerian methods. We demonstrate the advantages of NeuralMPM on several datasets, including fluid dynamics and fluid-solid interactions. Compared to existing methods, NeuralMPM reduces training times from days to hours, while achieving comparable or superior long-term accuracy, making it a promising approach for practical forward and inverse problems. A project page is available at https://neuralmpm.isach.be
Authors: Lefan Zhang, Xiaodan Wang, Yanhua Huang, Ruiwen Xu
Abstract: Speculative sampling has proven to be an effective solution to accelerate decoding from large language models, where the acceptance rate significantly determines the performance. Most previous works on improving the acceptance rate focus on aligned training and efficient decoding, implicitly paying less attention to the linkage of training and decoding. In this work, we first investigate the linkage of training and decoding for speculative sampling and then propose a solution named HArmonized Speculative Sampling (HASS). HASS improves the acceptance rate without extra inference overhead by harmonizing training and decoding on their objectives and contexts. Experiments on three LLaMA models demonstrate that HASS achieves 2.81x-3.65x wall-clock time speedup ratio averaging across three datasets, which is 8%-15% faster than EAGLE-2.
Authors: Jin-Hong Du, Pratik Patil
Abstract: We study the implicit regularization effects induced by (observation) weighting of pretrained features. For weight and feature matrices of bounded operator norms that are infinitesimally free with respect to (normalized) trace functionals, we derive equivalence paths connecting different weighting matrices and ridge regularization levels. Specifically, we show that ridge estimators trained on weighted features along the same path are asymptotically equivalent when evaluated against test vectors of bounded norms. These paths can be interpreted as matching the effective degrees of freedom of ridge estimators fitted with weighted features. For the special case of subsampling without replacement, our results apply to independently sampled random features and kernel features and confirm recent conjectures (Conjectures 7 and 8) of the authors on the existence of such paths in Patil et al. We also present an additive risk decomposition for ensembles of weighted estimators and show that the risks are equivalent along the paths when the ensemble size goes to infinity. As a practical consequence of the path equivalences, we develop an efficient cross-validation method for tuning and apply it to subsampled pretrained representations across several models (e.g., ResNet-50) and datasets (e.g., CIFAR-100).
Authors: Yichao Fu, Siqi Zhu, Runlong Su, Aurick Qiao, Ion Stoica, Hao Zhang
Abstract: In Large Language Model (LLM) inference, the output length of an LLM request is typically regarded as not known a priori. Consequently, most LLM serving systems employ a simple First-come-first-serve (FCFS) scheduling strategy, leading to Head-Of-Line (HOL) blocking and reduced throughput and service quality. In this paper, we reexamine this assumption -- we show that, although predicting the exact generation length of each request is infeasible, it is possible to predict the relative ranks of output lengths in a batch of requests, using learning to rank. The ranking information offers valuable guidance for scheduling requests. Building on this insight, we develop a novel scheduler for LLM inference and serving that can approximate the shortest-job-first (SJF) schedule better than existing approaches. We integrate this scheduler with the state-of-the-art LLM serving system and show significant performance improvement in several important applications: 2.8x lower latency in chatbot serving and 6.5x higher throughput in synthetic data generation. Our code is available at https://github.com/hao-ai-lab/vllm-ltr.git
Authors: Abu Adnan Sadi, Mohammad Ashrafuzzaman Khan, Lubaba Binte Saber
Abstract: As the field of artificial intelligence progresses, assistive technologies are becoming more widely used across all industries. The healthcare industry is no different, with numerous studies being done to develop assistive tools for healthcare professionals. Automatic diagnostic systems are one such beneficial tool that can assist with a variety of tasks, including collecting patient information, analyzing test results, and diagnosing patients. However, the idea of developing systems that can provide a differential diagnosis has been largely overlooked in most of these research studies. In this study, we propose a transformer-based approach for providing differential diagnoses based on a patient's age, sex, medical history, and symptoms. We use the DDXPlus dataset, which provides differential diagnosis information for patients based on 49 disease types. Firstly, we propose a method to process the tabular patient data from the dataset and engineer them into patient reports to make them suitable for our research. In addition, we introduce two data modification modules to diversify the training data and consequently improve the robustness of the models. We approach the task as a multi-label classification problem and conduct extensive experiments using four transformer models. All the models displayed promising results by achieving over 97% F1 score on the held-out test set. Moreover, we design additional behavioral tests to get a broader understanding of the models. In particular, for one of our test cases, we prepared a custom test set of 100 samples with the assistance of a doctor. The results on the custom set showed that our proposed data modification modules improved the model's generalization capabilities. We hope our findings will provide future researchers with valuable insights and inspire them to develop reliable systems for automatic differential diagnosis.
Authors: Philipp R\"ochner, Henrique O. Marques, Ricardo J. G. B. Campello, Arthur Zimek, Franz Rothlauf
Abstract: Outlier detection algorithms typically assign an outlier score to each observation in a dataset, indicating the degree to which an observation is an outlier. However, these scores are often not comparable across algorithms and can be difficult for humans to interpret. Statistical scaling addresses this problem by transforming outlier scores into outlier probabilities without using ground-truth labels, thereby improving interpretability and comparability across algorithms. However, the quality of this transformation can be different for outliers and inliers. Missing outliers in scenarios where they are of particular interest - such as healthcare, finance, or engineering - can be costly or dangerous. Thus, ensuring good probabilities for outliers is essential. This paper argues that statistical scaling, as commonly used in the literature, does not produce equally good probabilities for outliers as for inliers. Therefore, we propose robust statistical scaling, which uses robust estimators to improve the probabilities for outliers. We evaluate several variants of our method against other outlier score transformations for real-world datasets and outlier detection algorithms, where it can improve the probabilities for outliers.
Authors: Osvaldo Velarde, Lucas Parra, Paolo Boldi, Hernan Makse
Abstract: Geometric Deep Learning (GDL) unifies a broad class of machine learning techniques from the perspectives of symmetries, offering a framework for introducing problem-specific inductive biases like Graph Neural Networks (GNNs). However, the current formulation of GDL is limited to global symmetries that are not often found in real-world problems. We propose to relax GDL to allow for local symmetries, specifically fibration symmetries in graphs, to leverage regularities of realistic instances. We show that GNNs apply the inductive bias of fibration symmetries and derive a tighter upper bound for their expressive power. Additionally, by identifying symmetries in networks, we collapse network nodes, thereby increasing their computational efficiency during both inference and training of deep neural networks. The mathematical extension introduced here applies beyond graphs to manifolds, bundles, and grids for the development of models with inductive biases induced by local symmetries that can lead to better generalization.
Authors: Reid Graves, Amir Barati Farimani
Abstract: The design of aerodynamic shapes, such as airfoils, has traditionally required significant computational resources and relied on predefined design parameters, which limit the potential for novel shape synthesis. In this work, we introduce a data-driven methodology for airfoil generation using a diffusion model. Trained on a dataset of preexisting airfoils, our model can generate an arbitrary number of new airfoils from random vectors, which can be conditioned on specific aerodynamic performance metrics such as lift and drag, or geometric criteria. Our results demonstrate that the diffusion model effectively produces airfoil shapes with realistic aerodynamic properties, offering substantial improvements in efficiency, flexibility, and the potential for discovering innovative airfoil designs. This approach significantly expands the design space, facilitating the synthesis of high-performance aerodynamic shapes that transcend the limitations of traditional methods.
Authors: Dominic Phillips, Flaviu Cipcigan
Abstract: Generative Flow Networks (GFlowNets) are a class of generative models that sample objects in proportion to a specified reward function through a learned policy. They can be trained either on-policy or off-policy, needing a balance between exploration and exploitation for fast convergence to a target distribution. While exploration strategies for discrete GFlowNets have been studied, exploration in the continuous case remains to be investigated, despite the potential for novel exploration algorithms due to the local connectedness of continuous domains. Here, we introduce Adapted Metadynamics, a variant of metadynamics that can be applied to arbitrary black-box reward functions on continuous domains. We use Adapted Metadynamics as an exploration strategy for continuous GFlowNets. We show three continuous domains where the resulting algorithm, MetaGFN, accelerates convergence to the target distribution and discovers more distant reward modes than previous off-policy exploration strategies used for GFlowNets.
Authors: Sijia Peng, Yun Xiong, Yangyong Zhu, Zhiqiang Shen
Abstract: Time series forecasting requires balancing short-term and long-term dependencies for accurate predictions. Existing methods mainly focus on long-term dependency modeling, neglecting the complexities of short-term dynamics, which may hinder performance. Transformers are superior in modeling long-term dependencies but are criticized for their quadratic computational cost. Mamba provides a near-linear alternative but is reported less effective in time series longterm forecasting due to potential information loss. Current architectures fall short in offering both high efficiency and strong performance for long-term dependency modeling. To address these challenges, we introduce Mixture of Universals (MoU), a versatile model to capture both short-term and long-term dependencies for enhancing performance in time series forecasting. MoU is composed of two novel designs: Mixture of Feature Extractors (MoF), an adaptive method designed to improve time series patch representations for short-term dependency, and Mixture of Architectures (MoA), which hierarchically integrates Mamba, FeedForward, Convolution, and Self-Attention architectures in a specialized order to model long-term dependency from a hybrid perspective. The proposed approach achieves state-of-the-art performance while maintaining relatively low computational costs. Extensive experiments on seven real-world datasets demonstrate the superiority of MoU. Code is available at https://github.com/lunaaa95/mou/.
Authors: Savannah Thais
Abstract: Technology does not exist in a vacuum; technological development, media representation, public perception, and governmental regulation cyclically influence each other to produce the collective understanding of a technology's capabilities, utilities, and risks. When these capabilities are overestimated, there is an enhanced risk of subjecting the public to dangerous or harmful technology, artificially restricting research and development directions, and enabling misguided or detrimental policy. The dangers of technological hype are particularly relevant in the rapidly evolving space of AI. Centering the research community as a key player in the development and proliferation of hype, we examine the origins and risks of AI hype to the research community and society more broadly and propose a set of measures that researchers, regulators, and the public can take to mitigate these risks and reduce the prevalence of unfounded claims about the technology.
Authors: Donghai Fang, Fangfang Zhu, Wenwen Min
Abstract: With the rapid development of the latest Spatially Resolved Transcriptomics (SRT) technology, which allows for the mapping of gene expression within tissue sections, the integrative analysis of multiple SRT data has become increasingly important. However, batch effects between multiple slices pose significant challenges in analyzing SRT data. To address these challenges, we have developed a plug-and-play batch correction method called Global Nearest Neighbor (G2N) anchor pairs selection. G2N effectively mitigates batch effects by selecting representative anchor pairs across slices. Building upon G2N, we propose STG3Net, which cleverly combines masked graph convolutional autoencoders as backbone modules. These autoencoders, integrated with generative adversarial learning, enable STG3Net to achieve robust multi-slice spatial domain identification and batch correction. We comprehensively evaluate the feasibility of STG3Net on three multiple SRT datasets from different platforms, considering accuracy, consistency, and the F1LISI metric (a measure of batch effect correction efficiency). Compared to existing methods, STG3Net achieves the best overall performance while preserving the biological variability and connectivity between slices. Source code and all public datasets used in this paper are available at https://github.com/wenwenmin/STG3Net and https://zenodo.org/records/12737170.
URLs: https://github.com/wenwenmin/STG3Net, https://zenodo.org/records/12737170.
Authors: Victor Dibia, Jingya Chen, Gagan Bansal, Suff Syed, Adam Fourney, Erkang Zhu, Chi Wang, Saleema Amershi
Abstract: Multi-agent systems, where multiple agents (generative AI models + tools) collaborate, are emerging as an effective pattern for solving long-running, complex tasks in numerous domains. However, specifying their parameters (such as models, tools, and orchestration mechanisms etc,.) and debugging them remains challenging for most developers. To address this challenge, we present AUTOGEN STUDIO, a no-code developer tool for rapidly prototyping, debugging, and evaluating multi-agent workflows built upon the AUTOGEN framework. AUTOGEN STUDIO offers a web interface and a Python API for representing LLM-enabled agents using a declarative (JSON-based) specification. It provides an intuitive drag-and-drop UI for agent workflow specification, interactive evaluation and debugging of workflows, and a gallery of reusable agent components. We highlight four design principles for no-code multi-agent developer tools and contribute an open-source implementation at https://github.com/microsoft/autogen/tree/main/samples/apps/autogen-studio
URLs: https://github.com/microsoft/autogen/tree/main/samples/apps/autogen-studio
Authors: Yan Lin, Tonglong Wei, Zeyu Zhou, Haomin Wen, Jilin Hu, Shengnan Guo, Youfang Lin, Huaiyu Wan
Abstract: Vehicle trajectories provide valuable movement information that supports various downstream tasks and powers real-world applications. A desirable trajectory learning model should transfer between different regions and tasks without retraining, thus improving computational efficiency and effectiveness with limited training data. However, a model's ability to transfer across regions is limited by the unique spatial features and POI arrangements of each region, which are closely linked to vehicle movement patterns and difficult to generalize. Additionally, achieving task transferability is challenging due to the differing generation schemes required for various tasks. Existing efforts towards transferability primarily involve learning embedding vectors for trajectories, which perform poorly in region transfer and still require retraining of prediction modules for task transfer. To address these challenges, we propose TrajFM, a vehicle trajectory foundation model that excels in both region and task transferability. For region transferability, we introduce STRFormer as the main learnable model within TrajFM. It integrates spatial, temporal, and POI modalities of trajectories to effectively manage variations in POI arrangements across regions and includes a learnable spatio-temporal Rotary position embedding module for handling spatial features. For task transferability, we propose a trajectory masking and recovery scheme. This scheme unifies the generation processes of various tasks into the masking and recovery of modalities and sub-trajectories, allowing TrajFM to be pre-trained once and transferred to different tasks without retraining. Experiments on two real-world vehicle trajectory datasets under various settings demonstrate the effectiveness of TrajFM. Code is available at https://anonymous.4open.science/r/TrajFM-30E4.
Authors: Hans van Gorp, Merel M. van Gilst, Pedro Fonseca, Fokke B. van Meulen, Johannes P. van Dijk, Sebastiaan Overeem, Ruud J. G. van Sloun
Abstract: Gold-standard sleep scoring as performed by human technicians is based on a subset of PSG signals, namely the EEG, EOG, and EMG. The PSG, however, consists of many more signal derivations that could potentially be used to perform sleep staging, including cardiac and respiratory modalities. Leveraging this variety in signals would offer advantages, for example by increasing reliability, resilience to signal loss, and application to long-term non-obtrusive recordings. This paper proposes a deep generative foundation model for fully automatic sleep staging from a plurality of sensors and any combination thereof. We trained a score-based diffusion model with a transformer backbone using a dataset of 1947 expert-labeled overnight sleep recordings with 36 different signals, including neurological, cardiac, and respiratory signals. We achieve zero-shot inference on any sensor set by using a novel Bayesian factorization of the score function across the sensors, i.e., it does not require retraining on specific combinations of signals. On single-channel EEG, our method reaches the performance limit in terms of PSG inter-rater agreement (5-class accuracy 85.6%, kappa 0.791). At the same time, the method offers full flexibility to use any sensor set derived from other modalities, for example, as typically used in home recordings that include finger PPG, nasal cannula and thoracic belt (5-class accuracy 79.0%, kappa of 0.697), or by combining derivations not typically used for sleep staging such as the tibialis and sternocleidomastoid EMG (5-class accuracy 71.0%, kappa of 0.575). Additionally, we propose a novel interpretability metric in terms of information gain per sensor and show that this is linearly correlated with classification performance. Lastly, our foundation model allows for post-hoc addition of entirely new sensor modalities by merely training a score estimator on the novel input.
Authors: Osama Amjad, Ammad Nadeem
Abstract: In this technical study, we introduce VFusedSeg3D, an innovative multi-modal fusion system created by the VisionRD team that combines camera and LiDAR data to significantly enhance the accuracy of 3D perception. VFusedSeg3D uses the rich semantic content of the camera pictures and the accurate depth sensing of LiDAR to generate a strong and comprehensive environmental understanding, addressing the constraints inherent in each modality. Through a carefully thought-out network architecture that aligns and merges these information at different stages, our novel feature fusion technique combines geometric features from LiDAR point clouds with semantic features from camera images. With the use of multi-modality techniques, performance has significantly improved, yielding a state-of-the-art mIoU of 72.46% on the validation set as opposed to the prior 70.51%.VFusedSeg3D sets a new benchmark in 3D segmentation accuracy. making it an ideal solution for applications requiring precise environmental perception.
Authors: Dongyang Kuang, Xinyue Song, Craig Michoski
Abstract: This study introduces a parameter-efficient Hierarchical Spatial Temporal Network (HiSTN) specifically designed for the task of emotion classification using multi-channel electroencephalogram data. The network incorporates a graph hierarchy constructed from bottom-up at various abstraction levels, offering the dual advantages of enhanced task-relevant deep feature extraction and a lightweight design. The model's effectiveness is further amplified when used in conjunction with a proposed unique label smoothing method. Comprehensive benchmark experiments reveal that this combined approach yields high, balanced performance in terms of both quantitative and qualitative predictions. HiSTN, which has approximately 1,000 parameters, achieves mean F1 scores of 96.82% (valence) and 95.62% (arousal) in subject-dependent tests on the rarely-utilized 5-classification task problem from the DREAMER dataset. In the subject-independent settings, the same model yields mean F1 scores of 78.34% for valence and 81.59% for arousal. The adoption of the Sequential Top-2 Hit Rate (Seq2HR) metric highlights the significant enhancements in terms of the balance between model's quantitative and qualitative for predictions achieved through our approach when compared to training with regular one-hot labels. These improvements surpass 50% in subject-dependent tasks and 30% in subject-independent tasks. The study also includes relevant ablation studies and case explorations to further elucidate the workings of the proposed model and enhance its interpretability.
Authors: Mahdi Nasiri, Sahel Iqbal, Simo S\"arkk\"a
Abstract: In this paper, physics-informed neural network models are developed to predict the concentrate gold grade in froth flotation cells. Accurate prediction of concentrate grades is important for the automatic control and optimization of mineral processing. Both first-principles and data-driven machine learning methods have been used to model the flotation process. The complexity of models based on first-principles restricts their direct use, while purely data-driven models often fail in dynamic industrial environments, leading to poor generalization. To address these limitations, this study integrates classical mathematical models of froth flotation processes with conventional deep learning methods to construct physics-informed neural networks. These models demonstrated superior generalization and predictive performance compared to purely data-driven models, on simulated data from two flotation cells, in terms of mean squared error and mean relative error.
Authors: Dominic Schneider, Lutz Rapp, Christoph Ament
Abstract: This article proposes a novel fuzzy clustering based anomaly detection method for pump current time series of EDFA systems. The proposed change detection framework (CDF) strategically combines the advantages of entropy analysis (EA) and principle component analysis (PCA) with fuzzy clustering procedures. In the framework, EA is applied for dynamic selection of features for reduction of the feature space and increase of computational performance. Furthermore, PCA is utilized to extract features from the raw feature space to enable generalization capability of the subsequent fuzzy clustering procedures. Three different fuzzy clustering methods, more precisely the fuzzy clustering algorithm, a probabilistic clustering algorithm and a possibilistic clustering algorithm are evaluated for performance and generalization. Hence, the proposed framework has the innovative feature to detect changes in pump current time series at an early stage for arbitrary points of operation, compared to state-of-the-art predefined alarms in commercially used EDFAs. Moreover, the approach is implemented and tested using experimental data. In addition, the proposed framework enables further approaches of applying decentralized predictive maintenance for optical fiber networks.
Authors: Yinhuai Wang, Qihan Zhao, Runyi Yu, Ailing Zeng, Jing Lin, Zhengyi Luo, Hok Wai Tsui, Jiwen Yu, Xiu Li, Qifeng Chen, Jian Zhang, Lei Zhang, Ping Tan
Abstract: Mastering basketball skills such as diverse layups and dribbling involves complex interactions with the ball and requires real-time adjustments. Traditional reinforcement learning methods for interaction skills rely on labor-intensive, manually designed rewards that do not generalize well across different skills. Inspired by how humans learn from demonstrations, we propose SkillMimic, a data-driven approach that mimics both human and ball motions to learn a wide variety of basketball skills. SkillMimic employs a unified configuration to learn diverse skills from human-ball motion datasets, with skill diversity and generalization improving as the dataset grows. This approach allows training a single policy to learn multiple skills, enabling smooth skill switching even if these switches are not present in the reference dataset. The skills acquired by SkillMimic can be easily reused by a high-level controller to accomplish complex basketball tasks. To evaluate our approach, we introduce two basketball datasets: one estimated through monocular RGB videos and the other using advanced motion capture equipment, collectively containing about 35 minutes of diverse basketball skills. Experiments show that our method can effectively learn various basketball skills included in the dataset with a unified configuration, including various styles of dribbling, layups, and shooting. Furthermore, by training a high-level controller to reuse the acquired skills, we can achieve complex basketball tasks such as layup scoring, which involves dribbling toward the basket, timing the dribble and layup to score, retrieving the rebound, and repeating the process. The project page and video demonstrations are available at https://ingrid789.github.io/SkillMimic/
Authors: Ridwan Alam, Collin Stultz
Abstract: The diagnosis, prognosis, and treatment of a number of cardiovascular disorders rely on ECG interval measurements, including the PR, QRS, and QT intervals. These quantities are measured from the 12-lead ECG, either manually or using automated algorithms, which are readily available in clinical settings. A number of wearable devices, however, can acquire the lead-I ECG in an outpatient setting, thereby raising the potential for out-of-hospital monitoring for disorders that involve clinically significant changes in ECG intervals. In this work, we therefore developed a series of deep learning models for estimating the PR, QRS, and QT intervals using lead-I ECG. From a corpus of 4.2 million ECGs from patients at the Massachusetts General Hospital, we train and validate each of the models. At internal holdout validation, we achieve mean absolute errors (MAE) of 6.3 ms for QRS durations and 11.9 ms for QT intervals, and an MAE of 9.2 ms for estimating PR intervals. Moreover, as a well-defined P-wave does not always exist in ECG tracings - for example, when there is atrial fibrillation - we trained a model that can identify when there is a P-wave, and consequently, a measurable PR interval. We validate our models on three large external healthcare datasets without any finetuning or retraining - 3.2 million ECG from the Brigham and Womens Hospital, 668 thousand from MIMIC-IV, and 20 thousand from PTB-XL - and achieve similar performance. Also, our models significantly outperform two publicly available baseline algorithms. This work demonstrates that ECG intervals can be tracked from only lead-I ECG using deep learning, and highlights the potential for out-of-hospital applications.
Authors: Xiaohua Huang, Jinke Xu, Wenming Zheng, Qirong Mao, Abhinav Dhall
Abstract: With the advancement of artificial intelligence (AI) technology, group-level emotion recognition (GER) has emerged as an important area in analyzing human behavior. Early GER methods are primarily relied on handcrafted features. However, with the proliferation of Deep Learning (DL) techniques and their remarkable success in diverse tasks, neural networks have garnered increasing interest in GER. Unlike individual's emotion, group emotions exhibit diversity and dynamics. Presently, several DL approaches have been proposed to effectively leverage the rich information inherent in group-level image and enhance GER performance significantly. In this survey, we present a comprehensive review of DL techniques applied to GER, proposing a new taxonomy for the field cover all aspects of GER based on DL. The survey overviews datasets, the deep GER pipeline, and performance comparisons of the state-of-the-art methods past decade. Moreover, it summarizes and discuss the fundamental approaches and advanced developments for each aspect. Furthermore, we identify outstanding challenges and suggest potential avenues for the design of robust GER systems. To the best of our knowledge, thus survey represents the first comprehensive review of deep GER methods, serving as a pivotal references for future GER research endeavors.
Authors: Yifan Zhou, Chong Cheng Xu, Mingi Song, Yew Kee Wong
Abstract: This paper explores the transformative potential of quantum computing in the realm of personalized learning. Traditional machine learning models and GPU-based approaches have long been utilized to tailor educational experiences to individual student needs. However, these methods face significant challenges in terms of scalability, computational efficiency, and real-time adaptation to the dynamic nature of educational data. This study proposes leveraging quantum computing to address these limitations. We review existing personalized learning systems, classical machine learning methods, and emerging quantum computing applications in education. We then outline a protocol for data collection, privacy preservation using quantum techniques, and preprocessing, followed by the development and implementation of quantum algorithms specifically designed for personalized learning. Our findings indicate that quantum algorithms offer substantial improvements in efficiency, scalability, and personalization quality compared to classical methods. This paper discusses the implications of integrating quantum computing into educational systems, highlighting the potential for enhanced teaching methodologies, curriculum design, and overall student experiences. We conclude by summarizing the advantages of quantum computing in education and suggesting future research directions.
Authors: Md Aziz Hosen Foysal, Foyez Ahmed, Md Zahurul Haque
Abstract: Plant diseases significantly impact agricultural productivity, resulting in economic losses and food insecurity. Prompt and accurate detection is crucial for the efficient management and mitigation of plant diseases. This study investigates advanced techniques in plant disease detection, emphasizing the integration of image processing, machine learning, deep learning methods, and mobile technologies. High-resolution images of plant leaves were captured and analyzed using convolutional neural networks (CNNs) to detect symptoms of various diseases, such as blight, mildew, and rust. This study explores 14 classes of plants and diagnoses 26 unique plant diseases. We focus on common diseases affecting various crops. The model was trained on a diverse dataset encompassing multiple crops and disease types, achieving 98.14% accuracy in disease diagnosis. Finally integrated this model into mobile apps for real-time disease diagnosis.
Authors: Imen Ben Mahmoud, Eklavya Sarkar, Marta Manser, Mathew Magimai. -Doss
Abstract: Understanding evolution of vocal communication in social animals is an important research problem. In that context, beyond humans, there is an interest in analyzing vocalizations of other social animals such as, meerkats, marmosets, apes. While existing approaches address vocalizations of certain species, a reliable method tailored for meerkat calls is lacking. To that extent, this paper investigates feature representations for automatic meerkat vocalization analysis. Both traditional signal processing-based representations and data-driven representations facilitated by advances in deep learning are explored. Call type classification studies conducted on two data sets reveal that feature extraction methods developed for human speech processing can be effectively employed for automatic meerkat call analysis.
Authors: Yiqing Shen, Zan Chen, Michail Mamalakis, Yungeng Liu, Tianbin Li, Yanzhou Su, Junjun He, Pietro Li\`o, Yu Guang Wang
Abstract: The structural similarities between protein sequences and natural languages have led to parallel advancements in deep learning across both domains. While large language models (LLMs) have achieved much progress in the domain of natural language processing, their potential in protein engineering remains largely unexplored. Previous approaches have equipped LLMs with protein understanding capabilities by incorporating external protein encoders, but this fails to fully leverage the inherent similarities between protein sequences and natural languages, resulting in sub-optimal performance and increased model complexity. To address this gap, we present TourSynbio-7B, the first multi-modal large model specifically designed for protein engineering tasks without external protein encoders. TourSynbio-7B demonstrates that LLMs can inherently learn to understand proteins as language. The model is post-trained and instruction fine-tuned on InternLM2-7B using ProteinLMDataset, a dataset comprising 17.46 billion tokens of text and protein sequence for self-supervised pretraining and 893K instructions for supervised fine-tuning. TourSynbio-7B outperforms GPT-4 on the ProteinLMBench, a benchmark of 944 manually verified multiple-choice questions, with 62.18% accuracy. Leveraging TourSynbio-7B's enhanced protein sequence understanding capability, we introduce TourSynbio-Agent, an innovative framework capable of performing various protein engineering tasks, including mutation analysis, inverse folding, protein folding, and visualization. TourSynbio-Agent integrates previously disconnected deep learning models in the protein engineering domain, offering a unified conversational user interface for improved usability. Finally, we demonstrate the efficacy of TourSynbio-7B and TourSynbio-Agent through two wet lab case studies on vanilla key enzyme modification and steroid compound catalysis.
Authors: Changjian Zhou, Xin Zhang, Jiafeng Li, Jia Song, Wensheng Xiang
Abstract: Recent studies suggest that drug-drug interaction (DDI) prediction via computational approaches has significant importance for understanding the functions and co-prescriptions of multiple drugs. However, the existing silico DDI prediction methods either ignore the potential interactions among drug-drug pairs (DDPs), or fail to explicitly model and fuse the multi-scale drug feature representations for better prediction. In this study, we propose RGDA-DDI, a residual graph attention network (residual-GAT) and dual-attention based framework for drug-drug interaction prediction. A residual-GAT module is introduced to simultaneously learn multi-scale feature representations from drugs and DDPs. In addition, a dual-attention based feature fusion block is constructed to learn local joint interaction representations. A series of evaluation metrics demonstrate that the RGDA-DDI significantly improved DDI prediction performance on two public benchmark datasets, which provides a new insight into drug development.
Authors: Wenxuan Zhang, Philip H. S. Torr, Mohamed Elhoseiny, Adel Bibi
Abstract: Fine-tuning large language models (LLMs) on human preferences, typically through reinforcement learning from human feedback (RLHF), has proven successful in enhancing their capabilities. However, ensuring the safety of LLMs during the fine-tuning remains a critical concern, and mitigating the potential conflicts in safety and helpfulness is costly in RLHF. To address this issue, we propose a supervised learning framework called Bi-Factorial Preference Optimization (BFPO), which re-parameterizes a joint RLHF objective of both safety and helpfulness into a single supervised learning objective. In the supervised optimization, a labeling function is used to capture global preferences ranking to balance both safety and helpfulness. To evaluate BFPO, we develop a benchmark including comprehensive discriminative and generative tasks for helpfulness and harmlessness. The results indicate that our method significantly outperforms existing approaches in both safety and helpfulness. Moreover, BFPO eliminates the need for human prompting and annotation in LLM fine-tuning while achieving the same level of safety as methods that heavily rely on human labor, with less than 10% of the computational resources. The training recipes and models will be released.
Authors: Paolo Andrea Erdman, Robert Czupryniak, Bibek Bhandari, Andrew N. Jordan, Frank No\'e, Jens Eisert, Giacomo Guarnieri
Abstract: Feedback control of open quantum systems is of fundamental importance for practical applications in various contexts, ranging from quantum computation to quantum error correction and quantum metrology. Its use in the context of thermodynamics further enables the study of the interplay between information and energy. However, deriving optimal feedback control strategies is highly challenging, as it involves the optimal control of open quantum systems, the stochastic nature of quantum measurement, and the inclusion of policies that maximize a long-term time- and trajectory-averaged goal. In this work, we employ a reinforcement learning approach to automate and capture the role of a quantum Maxwell's demon: the agent takes the literal role of discovering optimal feedback control strategies in qubit-based systems that maximize a trade-off between measurement-powered cooling and measurement efficiency. Considering weak or projective quantum measurements, we explore different regimes based on the ordering between the thermalization, the measurement, and the unitary feedback timescales, finding different and highly non-intuitive, yet interpretable, strategies. In the thermalization-dominated regime, we find strategies with elaborate finite-time thermalization protocols conditioned on measurement outcomes. In the measurement-dominated regime, we find that optimal strategies involve adaptively measuring different qubit observables reflecting the acquired information, and repeating multiple weak measurements until the quantum state is "sufficiently pure", leading to random walks in state space. Finally, we study the case when all timescales are comparable, finding new feedback control strategies that considerably outperform more intuitive ones. We discuss a two-qubit example where we explore the role of entanglement and conclude discussing the scaling of our results to quantum many-body systems.
Authors: Bitasadat Jamshidi, Nastaran Ghorbani, Mohsen Rostamy-Malkhalifeh
Abstract: Lung cancer stands as the preeminent cause of cancer-related mortality globally. Prompt and precise diagnosis, coupled with effective treatment, is imperative to reduce the fatality rates associated with this formidable disease. This study introduces a cutting-edge deep learning framework for the classification of lung cancer from CT scan imagery. The research encompasses a suite of image pre-processing strategies, notably Canny edge detection, and wavelet transformations, which precede the extraction of salient features and subsequent classification via a Multi-Layer Perceptron (MLP). The optimization process is further refined using the Dragonfly Algorithm (DA). The methodology put forth has attained an impressive training and testing accuracy of 99.82\%, underscoring its efficacy and reliability in the accurate diagnosis of lung cancer.
Authors: Maximilian Graf, Alexandra Carpentier, Nicolas Verzelen
Abstract: Motivated by crowdsourcing, we consider a problem where we partially observe the correctness of the answers of $n$ experts on $d$ questions. In this paper, we assume that both the experts and the questions can be ordered, namely that the matrix $M$ containing the probability that expert $i$ answers correctly to question $j$ is bi-isotonic up to a permutation of it rows and columns. When $n=d$, this also encompasses the strongly stochastic transitive (SST) model from the tournament literature. Here, we focus on the relevant problem of deciphering small entries of $M$ from large entries of $M$, which is key in crowdsourcing for efficient allocation of workers to questions. More precisely, we aim at recovering a (or several) level set $p$ of the matrix up to a precision $h$, namely recovering resp. the sets of positions $(i,j)$ in $M$ such that $M_{ij}>p+h$ and $M_{i,j}
Authors: Junhao Shen, Mohammad Ausaf Ali Haqqani, Beichen Hu, Cheng Huang, Xihao Xie, Tsengdar Lee, Jia Zhang
Abstract: Due to the rapid growth of scientific publications, identifying all related reference articles in the literature has become increasingly challenging yet highly demanding. Existing methods primarily assess candidate publications from a static perspective, focusing on the content of articles and their structural information, such as citation relationships. There is a lack of research regarding how to account for the evolving impact among papers on their embeddings. Toward this goal, this paper introduces a temporal dimension to paper recommendation strategies. The core idea is to continuously update a paper's embedding when new citation relationships appear, enhancing its relevance for future recommendations. Whenever a citation relationship is added to the literature upon the publication of a paper, the embeddings of the two related papers are updated through a Temporal Graph Neural Network (TGN). A learnable memory update module based on a Recurrent Neural Network (RNN) is utilized to study the evolution of the embedding of a paper in order to predict its reference impact in a future timestamp. Such a TGN-based model learns a pattern of how people's views of the paper may evolve, aiming to guide paper recommendations more precisely. Extensive experiments on an open citation network dataset, including 313,278 articles from https://paperswithcode.com/about PaperWithCode, have demonstrated the effectiveness of the proposed approach.
Authors: Silvia Seidlitz, Jan Sellner, Alexander Studier-Fischer, Alessandro Motta, Berkin \"Ozdemir, Beat P. M\"uller-Stich, Felix Nickel, Lena Maier-Hein
Abstract: Robust semantic segmentation of intraoperative image data holds promise for enabling automatic surgical scene understanding and autonomous robotic surgery. While model development and validation are primarily conducted on idealistic scenes, geometric domain shifts, such as occlusions of the situs, are common in real-world open surgeries. To close this gap, we (1) present the first analysis of state-of-the-art (SOA) semantic segmentation models when faced with geometric out-of-distribution (OOD) data, and (2) propose an augmentation technique called "Organ Transplantation", to enhance generalizability. Our comprehensive validation on six different OOD datasets, comprising 600 RGB and hyperspectral imaging (HSI) cubes from 33 pigs, each annotated with 19 classes, reveals a large performance drop in SOA organ segmentation models on geometric OOD data. This performance decline is observed not only in conventional RGB data (with a dice similarity coefficient (DSC) drop of 46 %) but also in HSI data (with a DSC drop of 45 %), despite the richer spectral information content. The performance decline increases with the spatial granularity of the input data. Our augmentation technique improves SOA model performance by up to 67 % for RGB data and 90 % for HSI data, achieving performance at the level of in-distribution performance on real OOD test data. Given the simplicity and effectiveness of our augmentation method, it is a valuable tool for addressing geometric domain shifts in surgical scene segmentation, regardless of the underlying model. Our code and pre-trained models are publicly available at https://github.com/IMSY-DKFZ/htc.
Authors: Tongzhou Wang, Yihan Lin
Abstract: CycleGAN provides a framework to train image-to-image translation with unpaired datasets using cycle consistency loss [4]. While results are great in many applications, the pixel level cycle consistency can potentially be problematic and causes unrealistic images in certain cases. In this project, we propose three simple modifications to cycle consistency, and show that such an approach achieves better results with fewer artifacts.
Authors: Yunge Li, Lanyu Xu
Abstract: Panoptic perception represents a forefront advancement in autonomous driving technology, unifying multiple perception tasks into a singular, cohesive framework to facilitate a thorough understanding of the vehicle's surroundings. This survey reviews typical panoptic perception models for their unique inputs and architectures and compares them to performance, responsiveness, and resource utilization. It also delves into the prevailing challenges faced in panoptic perception and explores potential trajectories for future research. Our goal is to furnish researchers in autonomous driving with a detailed synopsis of panoptic perception, positioning this survey as a pivotal reference in the ever-evolving landscape of autonomous driving technologies.
Authors: Gianluca Fabiani, Erik Bollt, Constantinos Siettos, Athanasios N. Yannacopoulos
Abstract: We present a stability analysis of Physics-Informed Neural Networks (PINNs) coupled with random projections, for the numerical solution of (stiff) linear differential equations. For our analysis, we consider systems of linear ODEs, and linear parabolic PDEs. We prove that properly designed PINNs offer consistent and asymptotically stable numerical schemes, thus convergent schemes. In particular, we prove that multi-collocation random projection PINNs guarantee asymptotic stability for very high stiffness and that single-collocation PINNs are $A$-stable. To assess the performance of the PINNs in terms of both numerical approximation accuracy and computational cost, we compare it with other implicit schemes and in particular backward Euler, the midpoint, trapezoidal (Crank-Nikolson), the 2-stage Gauss scheme and the 2 and 3 stages Radau schemes. We show that the proposed PINNs outperform the above traditional schemes, in both numerical approximation accuracy and importantly computational cost, for a wide range of step sizes.
Authors: Andrew Flynn, Andreas Amann
Abstract: The concept of multifunctionality has enabled reservoir computers (RCs), a type of dynamical system that is typically realised as an artificial neural network, to reconstruct multiple attractors simultaneously using the same set of trained weights. However there are many additional phenomena that arise when training a RC to reconstruct more than one attractor. Previous studies have found that, in certain cases, if the RC fails to reconstruct a coexistence of attractors then it exhibits a form of metastability whereby, without any external input, the state of the RC switches between different modes of behaviour that resemble properties of the attractors it failed to reconstruct. In this paper we explore the origins of these switching dynamics in a paradigmatic setting via the `seeing double' problem.
Authors: Robert Taylor
Abstract: This paper presents the experimental process and results of SVM, Gradient Boosting, and an Attention-GRU Hybrid model in predicting the Implied Volatility of rolled-over five-year spread contracts of credit default swaps (CDS) on European corporate debt during the quarter following mid-May '24, as represented by the iTraxx/Cboe Europe Main 1-Month Volatility Index (BP Volatility). The analysis employs a feature matrix inspired by Merton's determinants of default probability. Our comparative assessment aims to identify strengths in SOTA and classical machine learning methods for financial risk prediction
Authors: Mohammad S. Khorrami, Pawan Goyal, Jaber R. Mianroodi, Bob Svendsen, Peter Benner, Dierk Raabe
Abstract: The purpose of the current work is the development and comparison of Fourier neural operators (FNOs) for surrogate modeling of the quasi-static mechanical response of polycrystalline materials. Three types of such FNOs are considered here: a physics-guided FNO (PgFNO), a physics-informed FNO (PiFNO), and a physics-encoded FNO (PeFNO). These are trained and compared with the help of stress field data from a reference model for heterogeneous elastic materials with a periodic grain microstructure. Whereas PgFNO training is based solely on these data, that of the PiFNO and PeFNO is in addition constrained by the requirement that stress fields satisfy mechanical equilibrium, i.e., be divergence-free. The difference between the PiFNO and PeFNO lies in how this constraint is taken into account; in the PiFNO, it is included in the loss function, whereas in the PeFNO, it is "encoded" in the operator architecture. In the current work, this encoding is based on a stress potential and Fourier transforms. As a result, only the training of the PiFNO is constrained by mechanical equilibrium; in contrast, mechanical equilibrium constrains both the training and output of the PeFNO. Due in particular to this, stress fields calculated by the trained PeFNO are significantly more accurate than those calculated by the trained PiFNO in the example cases considered.
Authors: Yize Zhao, Tina Behnia, Vala Vakilian, Christos Thrampoulidis
Abstract: Next-token prediction (NTP) over large text corpora has become the go-to paradigm to train large language models. Yet, it remains unclear how NTP influences the mapping of linguistic patterns to geometric properties of the resulting model representations. We frame training of large language models as soft-label classification over sparse probabilistic label vectors, coupled with an analytical approximation that allows unrestricted generation of context embeddings. This approach links NTP training to rank-constrained, nuclear-norm regularized optimization in the logit domain, offering a framework for analyzing the geometry of word and context embeddings. In large embedding spaces, we find that NTP implicitly favors learning logits with a sparse plus low-rank structure. While the sparse component captures the co-occurrence frequency of context-word pairs, the orthogonal low-rank component, which becomes dominant as training progresses, depends solely on the sparsity pattern of the co-occurrence matrix. Consequently, when projected onto an appropriate subspace, representations of contexts that are followed by the same set of next-tokens collapse, a phenomenon we term subspace-collapse. We validate our findings on synthetic and small-scale real language datasets. Finally, we outline potential research directions aimed at deepening the understanding of NTP's influence on the learning of linguistic patterns and regularities.
Authors: Akshay Kolli, Reza Azadeh, Kshitj Jerath
Abstract: Accurately identifying the underlying graph structures of multi-agent systems remains a difficult challenge. Our work introduces a novel machine learning-based solution that leverages the attention mechanism to predict future states of multi-agent systems by learning node representations. The graph structure is then inferred from the strength of the attention values. This approach is applied to both linear consensus dynamics and the non-linear dynamics of Kuramoto oscillators, resulting in implicit learning the graph by learning good agent representations. Our results demonstrate that the presented data-driven graph attention machine learning model can identify the network topology in multi-agent systems, even when the underlying dynamic model is not known, as evidenced by the F1 scores achieved in the link prediction.
Authors: Alejandro Mayorga, Alexander Yuan, Andrew Yuan, Tyler Wooldridge, Xiaodi Wang
Abstract: Neural networks have continued to gain prevalence in the modern era for their ability to model complex data through pattern recognition and behavior remodeling. However, the static construction of traditional neural networks inhibits dynamic intelligence. This makes them inflexible to temporal changes in data and unfit to capture complex dependencies. With the advent of quantum technology, there has been significant progress in creating quantum algorithms. In recent years, researchers have developed quantum neural networks that leverage the capabilities of qubits to outperform classical networks. However, their current formulation exhibits a static construction limiting the system's dynamic intelligence. To address these weaknesses, we develop a Liquid Quantum Neural Network (LQNet) and a Continuous Time Recurrent Quantum Neural Network (CTRQNet). Both models demonstrate a significant improvement in accuracy compared to existing quantum neural networks (QNNs), achieving accuracy increases as high as 40\% on CIFAR 10 through binary classification. We propose LQNets and CTRQNets might shine a light on quantum machine learning's black box.
Authors: Cheng Huang, Junhao Shen, Qiuyu Luo, Karanjit Kooner, Tsengdar Lee, Yishen Liu, Jia Zhang
Abstract: In recently years, a significant amount of research has been conducted on applying deep learning methods for glaucoma classification and detection. However, the explainability of those established machine learning models remains a big concern. In this research, in contrast, we learn from cognitive science concept and study how ophthalmologists judge glaucoma detection. Simulating experts' efforts, we propose a hierarchical decision making system, centered around a holistic set of carefully designed biomarker-oriented machine learning models. While biomarkers represent the key indicators of how ophthalmologists identify glaucoma, they usually exhibit latent inter-relations. We thus construct a time series model, named TRI-LSTM, capable of calculating and uncovering potential and latent relationships among various biomarkers of glaucoma. Our model is among the first efforts to explore the intrinsic connections among glaucoma biomarkers. We monitor temporal relationships in patients' disease states over time and to capture and retain the progression of disease-relevant clinical information from prior visits, thereby enriching biomarker's potential relationships. Extensive experiments over real-world dataset have demonstrated the effectiveness of the proposed model.
Authors: Lujun Gui, Bin Xiao, Lei Su, Weipeng Chen
Abstract: Lossless speculative decoding accelerates target large language model (LLM) inference by employing a lightweight draft model for generating tree-structured candidates, which are subsequently verified in parallel by the target LLM. Currently, effective approaches leverage feature-level rather than token-level autoregression within the draft model to facilitate more straightforward predictions and enhanced knowledge distillation. In this paper, we reassess these approaches and propose FSPAD (Feature Sampling and Partial Alignment Distillation for Lossless Speculative Decoding), which introduces two straightforward and effective components within the existing framework to boost lossless speculative decoding. Firstly, FSPAD utilizes token embeddings to sample features of the target LLM in high-dimensional space before feeding them into the draft model, due to the inherent uncertainty of the features preventing the draft model from obtaining the specific token output by the target LLM. Secondly, FSPAD introduces partial alignment distillation to weaken the draft model's connection between features and logits, aiming to reduce the conflict between feature alignment and logit confidence during training. Our experiments include both greedy and non-greedy decoding on the largest and smallest models from the Vicuna and LLaMA3-Instruct series, as well as tasks in multi-turn conversation, translation, summarization, question answering, mathematical reasoning, and retrieval-augmented generation. The results show that FSPAD outperforms the state-of-the-art method across all the aforementioned tasks and target LLMs.
Authors: Peder Lyngby, Casper Larsen, Karsten Wedel Jacobsen
Abstract: The optimization of atomic structures plays a pivotal role in understanding and designing materials with desired properties. However, conventional methods often struggle with the formidable task of navigating the vast potential energy surface, especially in high-dimensional spaces with numerous local minima. Recent advancements in machine learning-driven surrogate models offer a promising avenue for alleviating this computational burden. In this study, we propose a novel approach that combines the strengths of universal machine learning potentials with a Bayesian approach of the GOFEE/BEACON framework. By leveraging the comprehensive chemical knowledge encoded in pretrained universal machine learning potentials as a prior estimate of energy and forces, we enable the Gaussian process to focus solely on capturing the intricate nuances of the potential energy surface. We demonstrate the efficacy of our approach through comparative analyses across diverse systems, including periodic bulk materials, surface structures, and a cluster.
Authors: Bo Lei, Enze Chen, Hyuna Kwon, Tim Hsu, Babak Sadigh, Vincenzo Lordi, Timofey Frolov, Fei Zhou
Abstract: The diffusion model has emerged as a powerful tool for generating atomic structures for materials science. This work calls attention to the deficiency of current particle-based diffusion models, which represent atoms as a point cloud, in generating even the simplest ordered crystalline structures. The problem is attributed to particles being trapped in local minima during the score-driven simulated annealing of the diffusion process, similar to the physical process of force-driven simulated annealing. We develop a solution, the grand canonical diffusion model, which adopts an alternative voxel-based representation with continuous rather than fixed number of particles. The method is applied towards generation of several common crystalline phases as well as the technologically important and challenging problem of grain boundary structures.
Authors: Chang Wu, Yuang Chen, Hancheng Lu
Abstract: More refined resource management and Quality of Service (QoS) provisioning is a critical goal of wireless communication technologies. In this paper, we propose a novel Business-Centric Network (BCN) aimed at enabling scalable QoS provisioning, based on a cross-layer framework that captures the relationship between application, transport parameters, and channels. We investigate both continuous flow and event-driven flow models, presenting key QoS metrics such as throughput, delay, and reliability. By jointly considering power and bandwidth allocation, transmission parameters, and AP network topology across layers, we optimize weighted resource efficiency with statistical QoS provisioning. To address the coupling among parameters, we propose a novel deep reinforcement learning (DRL) framework, which is Collaborative Optimization among Heterogeneous Actors with Experience Sharing (COHA-ES). Power and sub-channel (SC) Actors representing multiple APs are jointly optimized under the unified guidance of a common critic. Additionally, we introduce a novel multithreaded experience-sharing mechanism to accelerate training and enhance rewards. Extensive comparative experiments validate the effectiveness of our DRL framework in terms of convergence and efficiency. Moreover, comparative analyses demonstrate the comprehensive advantages of the BCN structure in enhancing both spectral and energy efficiency.
Authors: Georg Sch\"afer, Jakob Rehrl, Stefan Huber, Simon Hirlaender
Abstract: This study conducts a comparative analysis of Model Predictive Control (MPC) and Proximal Policy Optimization (PPO), a Deep Reinforcement Learning (DRL) algorithm, applied to a 1-Degree of Freedom (DOF) Quanser Aero 2 system. Classical control techniques such as MPC and Linear Quadratic Regulator (LQR) are widely used due to their theoretical foundation and practical effectiveness. However, with advancements in computational techniques and machine learning, DRL approaches like PPO have gained traction in solving optimal control problems through environment interaction. This paper systematically evaluates the dynamic response characteristics of PPO and MPC, comparing their performance, computational resource consumption, and implementation complexity. Experimental results show that while LQR achieves the best steady-state accuracy, PPO excels in rise-time and adaptability, making it a promising approach for applications requiring rapid response and adaptability. Additionally, we have established a baseline for future RL-related research on this specific testbed. We also discuss the strengths and limitations of each control strategy, providing recommendations for selecting appropriate controllers for real-world scenarios.
Authors: Qian Wang, Zhaoyang Bu, Jiaxuan Mao, Wenyu Zhu, Jingya Zhao, Wei Du, Guochao Shi, Min Zhou, Si Chen, Jieming Qu
Abstract: Recent advancements in deep learning techniques have sparked performance boosts in various real-world applications including disease diagnosis based on multi-modal medical data. Cough sound data-based respiratory disease (e.g., COVID-19 and Chronic Obstructive Pulmonary Disease) diagnosis has also attracted much attention. However, existing works usually utilise traditional machine learning or deep models of moderate scales. On the other hand, the developed approaches are trained and evaluated on small-scale data due to the difficulty of curating and annotating clinical data on scale. To address these issues in prior works, we create a unified framework to evaluate various deep models from lightweight Convolutional Neural Networks (e.g., ResNet18) to modern vision transformers and compare their performance in respiratory disease classification. Based on the observations from such an extensive empirical study, we propose a novel approach to cough-based disease classification based on both self-supervised and supervised learning on a large-scale cough data set. Experimental results demonstrate our proposed approach outperforms prior arts consistently on two benchmark datasets for COVID-19 diagnosis and a proprietary dataset for COPD/non-COPD classification with an AUROC of 92.5%.
Authors: Hrishikesh Singh, Aarti Sharma, Millie Pant
Abstract: In the era of evolving artificial intelligence, machines are increasingly emulating human-like capabilities, including visual perception and linguistic expression. Image captioning stands at the intersection of these domains, enabling machines to interpret visual content and generate descriptive text. This paper provides a thorough review of image captioning techniques, catering to individuals entering the field of machine learning who seek a comprehensive understanding of available options, from foundational methods to state-of-the-art approaches. Beginning with an exploration of primitive architectures, the review traces the evolution of image captioning models to the latest cutting-edge solutions. By dissecting the components of these architectures, readers gain insights into the underlying mechanisms and can select suitable approaches tailored to specific problem requirements without duplicating efforts. The paper also delves into the application of image captioning in the medical domain, illuminating its significance in various real-world scenarios. Furthermore, the review offers guidance on evaluating the performance of image captioning systems, highlighting key metrics for assessment. By synthesizing theoretical concepts with practical application, this paper equips readers with the knowledge needed to navigate the complex landscape of image captioning and harness its potential for diverse applications in machine learning and beyond.
Authors: Zahra Rastin, Dirk S\"offker
Abstract: Machine learning (ML) classifiers serve as essential tools facilitating classification and prediction across various domains. The performance of these algorithms should be known to ensure their reliable application. In certain fields, receiver operating characteristic and precision-recall curves are frequently employed to assess machine learning algorithms without accounting for the impact of process parameters. However, it may be essential to evaluate the performance of these algorithms in relation to such parameters. As a performance evaluation metric capable of considering the effects of process parameters, this paper uses a modified probability of detection (POD) approach to assess the reliability of ML-based algorithms. As an example, the POD-based approach is employed to assess ML models used for predicting the lane changing behavior of a vehicle driver. The time remaining to the predicted (and therefore unknown) lane changing event is considered as process parameter. The hit/miss approach to POD is taken here and modified by considering the probability of lane changing derived from ML algorithms at each time step, and obtaining the final result of the analysis accordingly. This improves the reliability of results compared to the standard hit/miss approach, which considers the outcome of the classifiers as either 0 or 1, while also simplifying evaluation compared to the \^a versus a approach. Performance evaluation results of the proposed approach are compared with those obtained with the standard hit/miss approach and a pre-developed \^a versus a approach to validate the effectiveness of the proposed method. The comparison shows that this method provides an averaging conservative behavior with the advantage of enhancing the reliability of the hit/miss approach to POD while retaining its simplicity.
Authors: Axel Berg, Jens Gulin, Mark O'Connor, Chuteng Zhou, Karl {\AA}str\"om, Magnus Oskarsson
Abstract: We present a novel approach to the 3D sound source localization task for distributed ad-hoc microphone arrays by formulating it as a set-to-set regression problem. By training a multi-modal masked autoencoder model that operates on audio recordings and microphone coordinates, we show that such a formulation allows for accurate localization of the sound source, by reconstructing coordinates masked in the input. Our approach is flexible in the sense that a single model can be used with an arbitrary number of microphones, even when a subset of audio recordings and microphone coordinates are missing. We test our method on simulated and real-world recordings of music and speech in indoor environments, and demonstrate competitive performance compared to both classical and other learning based localization methods.
Authors: Konstantin Dobler, Gerard de Melo
Abstract: We investigate continued pretraining of LLMs for language adaptation on a tight academic budget: a setting in which only a few GPUs can be used in parallel, for a heavily constrained duration. We focus on adapting Mistral-7B to German or Arabic and evaluate several techniques to improve efficiency and effectiveness in this setting. Our German models adapted on this tight compute budget underperform compared to the base Mistral-7B, while our Arabic models outperform several baselines, showing that for sufficiently well-represented languages, continued pretraining for specialization is not always helpful. Our main findings focus on training precision and tokenizer swapping. Our results show that pure bfloat16 training is a viable alternative to mixed-precision training, while being much faster when only using a few GPUs. Swapping the tokenizer for a specialized one yields more efficient tokenization and is competitive with the original tokenizer, which already contains some German tokens, but did not significantly increase performance for German. Code and model weights are available at on GitHub.
Authors: Zachary T. P. Fried, Brett A. McGuire
Abstract: The determination of chemical mixture components is vital to a multitude of scientific fields. Oftentimes spectroscopic methods are employed to decipher the composition of these mixtures. However, the sheer density of spectral features present in spectroscopic databases can make unambiguous assignment to individual species challenging. Yet, components of a mixture are commonly chemically related due to environmental processes or shared precursor molecules. Therefore, analysis of the chemical relevance of a molecule is important when determining which species are present in a mixture. In this paper, we combine machine-learning molecular embedding methods with a graph-based ranking system to determine the likelihood of a molecule being present in a mixture based on the other known species and/or chemical priors. By incorporating this metric in a rotational spectroscopy mixture analysis algorithm, we demonstrate that the mixture components can be identified with extremely high accuracy (>97%) in an efficient manner.
Authors: Paul Fuchs, Stephan Thaler, Sebastien R\"ocken, Julija Zavadlav
Abstract: Neural Networks (NNs) are promising models for refining the accuracy of molecular dynamics, potentially opening up new fields of application. Typically trained bottom-up, atomistic NN potential models can reach first-principle accuracy, while coarse-grained implicit solvent NN potentials surpass classical continuum solvent models. However, overcoming the limitations of costly generation of accurate reference data and data inefficiency of common bottom-up training demands efficient incorporation of data from many sources. This paper introduces the framework chemtrain to learn sophisticated NN potential models through customizable training routines and advanced training algorithms. These routines can combine multiple top-down and bottom-up algorithms, e.g., to incorporate both experimental and simulation data or pre-train potentials with less costly algorithms. chemtrain provides an object-oriented high-level interface to simplify the creation of custom routines. On the lower level, chemtrain relies on JAX to compute gradients and scale the computations to use available resources. We demonstrate the simplicity and importance of combining multiple algorithms in the examples of parametrizing an all-atomistic model of titanium and a coarse-grained implicit solvent model of alanine dipeptide.
Authors: Weilin Lin, Li Liu, Jianze Li, Hui Xiong
Abstract: Backdoor attacks present a serious security threat to deep neuron networks (DNNs). Although numerous effective defense techniques have been proposed in recent years, they inevitably rely on the availability of either clean or poisoned data. In contrast, data-free defense techniques have evolved slowly and still lag significantly in performance. To address this issue, different from the traditional approach of pruning followed by fine-tuning, we propose a novel data-free defense method named Optimal Transport-based Backdoor Repairing (OTBR) in this work. This method, based on our findings on neuron weight changes (NWCs) of random unlearning, uses optimal transport (OT)-based model fusion to combine the advantages of both pruned and backdoored models. Specifically, we first demonstrate our findings that the NWCs of random unlearning are positively correlated with those of poison unlearning. Based on this observation, we propose a random-unlearning NWC pruning technique to eliminate the backdoor effect and obtain a backdoor-free pruned model. Then, motivated by the OT-based model fusion, we propose the pruned-to-backdoored OT-based fusion technique, which fuses pruned and backdoored models to combine the advantages of both, resulting in a model that demonstrates high clean accuracy and a low attack success rate. To our knowledge, this is the first work to apply OT and model fusion techniques to backdoor defense. Extensive experiments show that our method successfully defends against all seven backdoor attacks across three benchmark datasets, outperforming both state-of-the-art (SOTA) data-free and data-dependent methods. The code implementation and Appendix are provided in the Supplementary Material.
Authors: Mark Deutel, Christopher Mutschler, J\"urgen Teich
Abstract: This work-in-progress paper presents results on the feasibility of single-shot object detection on microcontrollers using YOLO. Single-shot object detectors like YOLO are widely used, however due to their complexity mainly on larger GPU-based platforms. We present microYOLO, which can be used on Cortex-M based microcontrollers, such as the OpenMV H7 R2, achieving about 3.5 FPS when classifying 128x128 RGB images while using less than 800 KB Flash and less than 350 KB RAM. Furthermore, we share experimental results for three different object detection tasks, analyzing the accuracy of microYOLO on them.
Authors: Sagar Srinivas Sakhinana, Geethan Sannidhi, Venkataramana Runkana
Abstract: The current technology landscape lacks a foundational AI model for solving process engineering calculations. In this work, we introduce a novel autonomous agent framework leveraging Retrieval-Augmented Instruction-Tuning (RAIT) to enhance open, customizable small code language models (SLMs) for these calculations. By combining instruction tuned code SLMs with Retrieval-Augmented Code Generation (RACG) using external tools, the agent generates, debugs, and optimizes code from natural language specifications. Our approach addresses the limitations of the current lack of a foundational AI model for specialized process engineering tasks and offers benefits of explainability, knowledge editing, and cost-effectiveness. Additionally, we curate custom datasets of chemical and process engineering problems and solutions to overcome data scarcity. Experimental results show that our framework matches the performance of large-scale proprietary models on benchmark datasets, proving its effectiveness and usability.
Authors: Sebastian Vallejo Vera, Hunter Driggers
Abstract: Human coders are biased. We test similar biases in Large Language Models (LLMs) as annotators. By replicating an experiment run by Ennser-Jedenastik and Meyer (2018), we find evidence that LLMs use political information, and specifically party cues, to judge political statements. Not only do LLMs use relevant information to contextualize whether a statement is positive, negative, or neutral based on the party cue, they also reflect the biases of the human-generated data upon which they have been trained. We also find that unlike humans, who are only biased when faced with statements from extreme parties, LLMs exhibit significant bias even when prompted with statements from center-left and center-right parties. The implications of our findings are discussed in the conclusion.
Authors: Mohammad Ebrahimi, Behrouz Minaei Bidgoli, Nasim Khozouei
Abstract: Semantic role labeling is a crucial task in natural language processing, enabling better comprehension of natural language. However, the lack of annotated data in multiple languages has posed a challenge for researchers. To address this, a deep learning algorithm based on model transfer has been proposed. The algorithm utilizes a dataset consisting of the English portion of CoNLL2009 and a corpus of semantic roles in Persian. To optimize the efficiency of training, only ten percent of the educational data from each language is used. The results of the proposed model demonstrate significant improvements compared to Niksirt et al.'s model. In monolingual mode, the proposed model achieved a 2.05 percent improvement on F1-score, while in cross-lingual mode, the improvement was even more substantial, reaching 6.23 percent. Worth noting is that the compared model only trained two of the four stages of semantic role labeling and employed golden data for the remaining two stages. This suggests that the actual superiority of the proposed model surpasses the reported numbers by a significant margin. The development of cross-lingual methods for semantic role labeling holds promise, particularly in addressing the scarcity of annotated data for various languages. These advancements pave the way for further research in understanding and processing natural language across different linguistic contexts.
Authors: Nikolas Gritsch, Qizhen Zhang, Acyr Locatelli, Sara Hooker, Ahmet \"Ust\"un
Abstract: Efficiency, specialization, and adaptability to new data distributions are qualities that are hard to combine in current Large Language Models. The Mixture of Experts (MoE) architecture has been the focus of significant research because its inherent conditional computation enables such desirable properties. In this work, we focus on "upcycling" dense expert models into an MoE, aiming to improve specialization while also adding the ability to adapt to new tasks easily. We introduce Nexus, an enhanced MoE architecture with adaptive routing where the model learns to project expert embeddings from domain representations. This approach allows Nexus to flexibly add new experts after the initial upcycling through separately trained dense models, without requiring large-scale MoE training for unseen data domains. Our experiments show that Nexus achieves a relative gain of up to 2.1% over the baseline for initial upcycling, and a 18.8% relative gain for extending the MoE with a new expert by using limited finetuning data. This flexibility of Nexus is crucial to enable an open-source ecosystem where every user continuously assembles their own MoE-mix according to their needs.
Authors: John Janiczek, Dading Chong, Dongyang Dai, Arlo Faria, Chao Wang, Tao Wang, Yuzong Liu
Abstract: A text-to-speech (TTS) model trained to reconstruct speech given text tends towards predictions that are close to the average characteristics of a dataset, failing to model the variations that make human speech sound natural. This problem is magnified for zero-shot voice cloning, a task that requires training data with high variance in speaking styles. We build off of recent works which have used Generative Advsarial Networks (GAN) by proposing a Transformer encoder-decoder architecture to conditionally discriminates between real and generated speech features. The discriminator is used in a training pipeline that improves both the acoustic and prosodic features of a TTS model. We introduce our novel adversarial training technique by applying it to a FastSpeech2 acoustic model and training on Libriheavy, a large multi-speaker dataset, for the task of zero-shot voice cloning. Our model achieves improvements over the baseline in terms of speech quality and speaker similarity. Audio examples from our system are available online.
Authors: Edith Alice Kov\'acs, Anna Orsz\'ag, D\'aniel Pfeifer, Andr\'as Bencz\'ur
Abstract: In this paper we introduce the so-called Generalized Naive Bayes structure as an extension of the Naive Bayes structure. We give a new greedy algorithm that finds a good fitting Generalized Naive Bayes (GNB) probability distribution. We prove that this fits the data at least as well as the probability distribution determined by the classical Naive Bayes (NB). Then, under a not very restrictive condition, we give a second algorithm for which we can prove that it finds the optimal GNB probability distribution, i.e. best fitting structure in the sense of KL divergence. Both algorithms are constructed to maximize the information content and aim to minimize redundancy. Based on these algorithms, new methods for feature selection are introduced. We discuss the similarities and differences to other related algorithms in terms of structure, methodology, and complexity. Experimental results show, that the algorithms introduced outperform the related algorithms in many cases.
Authors: Jonas Cassel, Bastian Boll, Stefania Petra, Peter Albers, Christoph Schn\"orr
Abstract: This paper introduces the sigma flow model for the prediction of structured labelings of data observed on Riemannian manifolds, including Euclidean image domains as special case. The approach combines the Laplace-Beltrami framework for image denoising and enhancement, introduced by Sochen, Kimmel and Malladi about 25 years ago, and the assignment flow approach introduced and studied by the authors. The sigma flow arises as Riemannian gradient flow of generalized harmonic energies and thus is governed by a nonlinear geometric PDE which determines a harmonic map from a closed Riemannian domain manifold to a statistical manifold, equipped with the Fisher-Rao metric from information geometry. A specific ingredient of the sigma flow is the mutual dependency of the Riemannian metric of the domain manifold on the evolving state. This makes the approach amenable to machine learning in a specific way, by realizing this dependency through a mapping with compact time-variant parametrization that can be learned from data. Proof of concept experiments demonstrate the expressivity of the sigma flow model and prediction performance. Structural similarities to transformer network architectures and networks generated by the geometric integration of sigma flows are pointed out, which highlights the connection to deep learning and, conversely, may stimulate the use of geometric design principles for structured prediction in other areas of scientific machine learning.
Authors: Elisabeth Fischer, Daniel Schl\"or, Albin Zehe, Andreas Hotho
Abstract: Analyzing the sequence of historical interactions between users and items, sequential recommendation models learn user intent and make predictions about the next item of interest. Next to these item interactions, most systems also have interactions with pages not related to specific items, for example navigation pages, account pages, and pages for a specific category, which may provide additional insights into the user's interests. However, while there are several approaches to integrate additional information about items and users, the topic of integrating non-item pages has been less explored. We use the hypotheses testing framework HypTrails to show that there is indeed a relationship between these non-item pages and the items of interest and fill this gap by proposing various approaches of representing non-item pages (e.g, based on their content) to use them as an additional information source for the task of sequential next-item prediction. We create a synthetic dataset with non-item pages highly related to the subsequent item to show that the models are generally capable of learning from these interactions, and subsequently evaluate the improvements gained by including non-item pages in two real-world datasets. We adapt eight popular sequential recommender models, covering CNN-, RNN- and transformer-based architectures, to integrate non-item pages and investigate the capabilities of these models to leverage their information for next item prediction. We also analyze their behavior on noisy data and compare different item representation strategies. Our results show that non-item pages are a valuable source of information, but representing such a page well is the key to successfully leverage them. The inclusion of non-item pages can increase the performance for next-item prediction in all examined model architectures with a varying degree.
Authors: Filip Dorm, Christian Lange, Scott Loarie, Oisin Mac Aodha
Abstract: Accurately predicting the geographic ranges of species is crucial for assisting conservation efforts. Traditionally, range maps were manually created by experts. However, species distribution models (SDMs) and, more recently, deep learning-based variants offer a potential automated alternative. Deep learning-based SDMs generate a continuous probability representing the predicted presence of a species at a given location, which must be binarized by setting per-species thresholds to obtain binary range maps. However, selecting appropriate per-species thresholds to binarize these predictions is non-trivial as different species can require distinct thresholds. In this work, we evaluate different approaches for automatically identifying the best thresholds for binarizing range maps using presence-only data. This includes approaches that require the generation of additional pseudo-absence data, along with ones that only require presence data. We also propose an extension of an existing presence-only technique that is more robust to outliers. We perform a detailed evaluation of different thresholding techniques on the tasks of binary range estimation and large-scale fine-grained visual classification, and we demonstrate improved performance over existing pseudo-absence free approaches using our method.
Authors: Zeduo Zhang, Yalda Mohsenzadeh
Abstract: Current anomaly detection methods excel with benchmark industrial data but struggle with natural images and medical data due to varying definitions of 'normal' and 'abnormal.' This makes accurate identification of deviations in these fields particularly challenging. Especially for 3D brain MRI data, all the state-of-the-art models are reconstruction-based with 3D convolutional neural networks which are memory-intensive, time-consuming and producing noisy outputs that require further post-processing. We propose a framework called Simple Slice-based Network (SimpleSliceNet), which utilizes a model pre-trained on ImageNet and fine-tuned on a separate MRI dataset as a 2D slice feature extractor to reduce computational cost. We aggregate the extracted features to perform anomaly detection tasks on 3D brain MRI volumes. Our model integrates a conditional normalizing flow to calculate log likelihood of features and employs the Semi-Push-Pull Mechanism to enhance anomaly detection accuracy. The results indicate improved performance, showcasing our model's remarkable adaptability and effectiveness when addressing the challenges exists in brain MRI data. In addition, for the large-scale 3D brain volumes, our model SimpleSliceNet outperforms the state-of-the-art 2D and 3D models in terms of accuracy, memory usage and time consumption. Code is available at: https://anonymous.4open.science/r/SimpleSliceNet-8EA3.
URLs: https://anonymous.4open.science/r/SimpleSliceNet-8EA3.
Authors: Ibrahim K. Ozaslan, Panagiotis Patrinos, Mihailo R. Jovanovi\'c
Abstract: We examine stability properties of primal-dual gradient flow dynamics for composite convex optimization problems with multiple, possibly nonsmooth, terms in the objective function under the generalized consensus constraint. The proposed dynamics are based on the proximal augmented Lagrangian and they provide a viable alternative to ADMM which faces significant challenges from both analysis and implementation viewpoints in large-scale multi-block scenarios. In contrast to customized algorithms with individualized convergence guarantees, we provide a systematic approach for solving a broad class of challenging composite optimization problems. We leverage various structural properties to establish global (exponential) convergence guarantees for the proposed dynamics. Our assumptions are much weaker than those required to prove (exponential) stability of various primal-dual dynamics as well as (linear) convergence of discrete-time methods, e.g., standard two-block and multi-block ADMM and EXTRA algorithms. Finally, we show necessity of some of our structural assumptions for exponential stability and provide computational experiments to demonstrate the convenience of the proposed dynamics for parallel and distributed computing applications.
Authors: Mustafa Omer Gul, Yoav Artzi
Abstract: Systems with both language comprehension and generation capabilities can benefit from the tight connection between the two. This work studies coupling comprehension and generation with focus on continually learning from interaction with users. We propose techniques to tightly integrate the two capabilities for both learning and inference. We situate our studies in two-player reference games, and deploy various models for thousands of interactions with human users, while learning from interaction feedback signals. We show dramatic improvements in performance over time, with comprehension-generation coupling leading to performance improvements up to 26% in absolute terms and up to 17% higher accuracies compared to a non-coupled system. Our analysis also shows coupling has substantial qualitative impact on the system's language, making it significantly more human-like.
Authors: Sungduk Yu, Brian L. White, Anahita Bhiwandiwalla, Musashi Hinck, Matthew Lyle Olson, Tung Nguyen, Vasudev Lal
Abstract: Detecting and attributing temperature increases due to climate change is crucial for understanding global warming and guiding adaptation strategies. The complexity of distinguishing human-induced climate signals from natural variability has challenged traditional detection and attribution (D&A) approaches, which seek to identify specific "fingerprints" in climate response variables. Deep learning offers potential for discerning these complex patterns in expansive spatial datasets. However, lack of standard protocols has hindered consistent comparisons across studies. We introduce ClimDetect, a standardized dataset of over 816k daily climate snapshots, designed to enhance model accuracy in identifying climate change signals. ClimDetect integrates various input and target variables used in past research, ensuring comparability and consistency. We also explore the application of vision transformers (ViT) to climate data, a novel and modernizing approach in this context. Our open-access data and code serve as a benchmark for advancing climate science through improved model evaluations. ClimDetect is publicly accessible via Huggingface dataet respository at: https://huggingface.co/datasets/ClimDetect/ClimDetect.
URLs: https://huggingface.co/datasets/ClimDetect/ClimDetect.
Authors: Min Shi, Fuxiao Liu, Shihao Wang, Shijia Liao, Subhashree Radhakrishnan, De-An Huang, Hongxu Yin, Karan Sapra, Yaser Yacoob, Humphrey Shi, Bryan Catanzaro, Andrew Tao, Jan Kautz, Zhiding Yu, Guilin Liu
Abstract: The ability to accurately interpret complex visual information is a crucial topic of multimodal large language models (MLLMs). Recent work indicates that enhanced visual perception significantly reduces hallucinations and improves performance on resolution-sensitive tasks, such as optical character recognition and document analysis. A number of recent MLLMs achieve this goal using a mixture of vision encoders. Despite their success, there is a lack of systematic comparisons and detailed ablation studies addressing critical aspects, such as expert selection and the integration of multiple vision experts. This study provides an extensive exploration of the design space for MLLMs using a mixture of vision encoders and resolutions. Our findings reveal several underlying principles common to various existing strategies, leading to a streamlined yet effective design approach. We discover that simply concatenating visual tokens from a set of complementary vision encoders is as effective as more complex mixing architectures or strategies. We additionally introduce Pre-Alignment to bridge the gap between vision-focused encoders and language tokens, enhancing model coherence. The resulting family of MLLMs, Eagle, surpasses other leading open-source models on major MLLM benchmarks. Models and code: https://github.com/NVlabs/Eagle
Authors: Christopher J. Wu, Lawrence S. Kegeles, Jia Guo
Abstract: Magnetic resonance spectroscopy (MRS) is an established technique for studying tissue metabolism, particularly in central nervous system disorders. While powerful and versatile, MRS is often limited by challenges associated with data quality, processing, and quantification. Existing MRS quantification methods face difficulties in balancing model complexity and reproducibility during spectral modeling, often falling into the trap of either oversimplification or over-parameterization. To address these limitations, this study introduces a deep learning (DL) framework that employs transfer learning, in which the model is pre-trained on simulated datasets before it undergoes fine-tuning on in vivo data. The proposed framework showed promising performance when applied to the Philips dataset from the BIG GABA repository and represents an exciting advancement in MRS data analysis.
Authors: Alice Moallemy-Oureh, Silvia Beddar-Wiesing, Yannick Nagel, R\"udiger Nather, Josephine M. Thomas
Abstract: Temporal Point Processes (TPPs) have recently become increasingly interesting for learning dynamics in graph data. A reason for this is that learning on dynamic graph data is becoming more relevant, since data from many scientific fields, ranging from mathematics, biology, social sciences, and physics to computer science, is naturally related and inherently dynamic. In addition, TPPs provide a meaningful characterization of event streams and a prediction mechanism for future events. Therefore, (semi-)parameterized Neural TPPs have been introduced whose characterization can be (partially) learned and, thus, enable the representation of more complex phenomena. However, the research on modeling dynamic graphs with TPPs is relatively young, and only a few models for node attribute changes or evolving edges have been proposed yet. To allow for learning on fully dynamic graph streams, i.e., graphs that can change in their structure (addition/deletion of nodes/edge) and in their node/edge attributes, we propose a Marked Neural Spatio-Temporal Point Process (MNSTPP). It leverages a Dynamic Graph Neural Network to learn a Marked TPP that handles attributes and spatial data to model and predict any event in a graph stream.
Authors: Sunghyun Sim, Dohee Kim, Hyerim Bae
Abstract: The time-series forecasting (TSF) problem is a traditional problem in the field of artificial intelligence. Models such as Recurrent Neural Network (RNN), Long Short Term Memory (LSTM), and GRU (Gate Recurrent Units) have contributed to improving the predictive accuracy of TSF. Furthermore, model structures have been proposed to combine time-series decomposition methods, such as seasonal-trend decomposition using Loess (STL) to ensure improved predictive accuracy. However, because this approach is learned in an independent model for each component, it cannot learn the relationships between time-series components. In this study, we propose a new neural architecture called a correlation recurrent unit (CRU) that can perform time series decomposition within a neural cell and learn correlations (autocorrelation and correlation) between each decomposition component. The proposed neural architecture was evaluated through comparative experiments with previous studies using five univariate time-series datasets and four multivariate time-series data. The results showed that long- and short-term predictive performance was improved by more than 10%. The experimental results show that the proposed CRU is an excellent method for TSF problems compared to other neural architectures.
Authors: Yilun Du, Conor Durkan, Robin Strudel, Joshua B. Tenenbaum, Sander Dieleman, Rob Fergus, Jascha Sohl-Dickstein, Arnaud Doucet, Will Grathwohl
Abstract: Since their introduction, diffusion models have quickly become the prevailing approach to generative modeling in many domains. They can be interpreted as learning the gradients of a time-varying sequence of log-probability density functions. This interpretation has motivated classifier-based and classifier-free guidance as methods for post-hoc control of diffusion models. In this work, we build upon these ideas using the score-based interpretation of diffusion models, and explore alternative ways to condition, modify, and reuse diffusion models for tasks involving compositional generation and guidance. In particular, we investigate why certain types of composition fail using current techniques and present a number of solutions. We conclude that the sampler (not the model) is responsible for this failure and propose new samplers, inspired by MCMC, which enable successful compositional generation. Further, we propose an energy-based parameterization of diffusion models which enables the use of new compositional operators and more sophisticated, Metropolis-corrected samplers. Intriguingly we find these samplers lead to notable improvements in compositional generation across a wide set of problems such as classifier-guided ImageNet modeling and compositional text-to-image generation.
Authors: Pierrick Bruneau, David Fiorelli, Christian Braun, Daniel Koster
Abstract: Accurate intraday forecasts of the power output by PhotoVoltaic (PV) systems are critical to improve the operation of energy distribution grids. We describe a neural autoregressive model that aims to perform such intraday forecasts. We build upon a physical, deterministic PV performance model, the output of which is used as covariates in the context of the neural model. In addition, our application data relates to a geographically distributed set of PV systems. We address all PV sites with a single neural model, which embeds the information about the PV site in specific covariates. We use a scale-free approach which relies on the explicit modeling of seasonal effects. Our proposal repurposes a model initially used in the retail sector and discloses a novel truncated Gaussian output distribution. An ablation study and a comparison to alternative architectures from the literature shows that the components in the best performing proposed model variant work synergistically to reach a skill score of 15.72% with respect to the physical model, used as a baseline.
Authors: Dianzhao Li, Ostap Okhrin
Abstract: Deep Reinforcement Learning (DRL) has shown remarkable success in solving complex tasks across various research fields. However, transferring DRL agents to the real world is still challenging due to the significant discrepancies between simulation and reality. To address this issue, we propose a robust DRL framework that leverages platform-dependent perception modules to extract task-relevant information and train a lane-following and overtaking agent in simulation. This framework facilitates the seamless transfer of the DRL agent to new simulated environments and the real world with minimal effort. We evaluate the performance of the agent in various driving scenarios in both simulation and the real world, and compare it to human players and the PID baseline in simulation. Our proposed framework significantly reduces the gaps between different platforms and the Sim2Real gap, enabling the trained agent to achieve similar performance in both simulation and the real world, driving the vehicle effectively.
Authors: Maxime Fontana, Michael Spratling, Miaojing Shi
Abstract: Multi-Task Learning (MTL) aims to learn multiple tasks simultaneously while exploiting their mutual relationships. By using shared resources to simultaneously calculate multiple outputs, this learning paradigm has the potential to have lower memory requirements and inference times compared to the traditional approach of using separate methods for each task. Previous work in MTL has mainly focused on fully-supervised methods, as task relationships can not only be leveraged to lower the level of data-dependency of those methods but they can also improve performance. However, MTL introduces a set of challenges due to a complex optimisation scheme and a higher labeling requirement. This review focuses on how MTL could be utilised under different partial supervision settings to address these challenges. First, this review analyses how MTL traditionally uses different parameter sharing techniques to transfer knowledge in between tasks. Second, it presents the different challenges arising from such a multi-objective optimisation scheme. Third, it introduces how task groupings can be achieved by analysing task relationships. Fourth, it focuses on how partially supervised methods applied to MTL can tackle the aforementioned challenges. Lastly, this review presents the available datasets, tools and benchmarking results of such methods.
Authors: Lucas English, Mahdi Abolghasemi
Abstract: Renewable energy generation is of utmost importance for global decarbonization. Forecasting renewable energies, particularly wind energy, is challenging due to the inherent uncertainty in wind energy generation, which depends on weather conditions. Recent advances in hierarchical forecasting through reconciliation have demonstrated a significant increase in the quality of wind energy forecasts for short-term periods. We leverage the cross-sectional and temporal hierarchical structure of turbines in wind farms and build cross-temporal hierarchies to further investigate how integrated cross-sectional and temporal dimensions can add value to forecast accuracy in wind farms. We found that cross-temporal reconciliation was superior to individual cross-sectional reconciliation at multiple temporal aggregations. Additionally, machine learning based forecasts that were cross-temporally reconciled demonstrated high accuracy at coarser temporal granularities, which may encourage adoption for short-term wind forecasts. Empirically, we provide insights for decision-makers on the best methods for forecasting high-frequency wind data across different forecasting horizons and levels.
Authors: Harris Papadopoulos
Abstract: Gaussian Process Regression (GPR) is a popular regression method, which unlike most Machine Learning techniques, provides estimates of uncertainty for its predictions. These uncertainty estimates however, are based on the assumption that the model is well-specified, an assumption that is violated in most practical applications, since the required knowledge is rarely available. As a result, the produced uncertainty estimates can become very misleading; for example the prediction intervals (PIs) produced for the 95% confidence level may cover much less than 95% of the true labels. To address this issue, this paper introduces an extension of GPR based on a Machine Learning framework called, Conformal Prediction (CP). This extension guarantees the production of PIs with the required coverage even when the model is completely misspecified. The proposed approach combines the advantages of GPR with the valid coverage guarantee of CP, while the performed experimental results demonstrate its superiority over existing methods.
Authors: Patara Trirat, Yooju Shin, Junhyeok Kang, Youngeun Nam, Jihye Na, Minyoung Bae, Joeun Kim, Byunghyun Kim, Jae-Gil Lee
Abstract: Time-series data exists in every corner of real-world systems and services, ranging from satellites in the sky to wearable devices on human bodies. Learning representations by extracting and inferring valuable information from these time series is crucial for understanding the complex dynamics of particular phenomena and enabling informed decisions. With the learned representations, we can perform numerous downstream analyses more effectively. Among several approaches, deep learning has demonstrated remarkable performance in extracting hidden patterns and features from time-series data without manual feature engineering. This survey first presents a novel taxonomy based on three fundamental elements in designing state-of-the-art universal representation learning methods for time series. According to the proposed taxonomy, we comprehensively review existing studies and discuss their intuitions and insights into how these methods enhance the quality of learned representations. Finally, as a guideline for future studies, we summarize commonly used experimental setups and datasets and discuss several promising research directions. An up-to-date corresponding resource is available at https://github.com/itouchz/awesome-deep-time-series-representations.
URLs: https://github.com/itouchz/awesome-deep-time-series-representations.
Authors: Baoyu Jing, Dawei Zhou, Kan Ren, Carl Yang
Abstract: Spatiotemporal time series are usually collected via monitoring sensors placed at different locations, which usually contain missing values due to various failures, such as mechanical damages and Internet outages. Imputing the missing values is crucial for analyzing time series. When recovering a specific data point, most existing methods consider all the information relevant to that point regardless of the cause-and-effect relationship. During data collection, it is inevitable that some unknown confounders are included, e.g., background noise in time series and non-causal shortcut edges in the constructed sensor network. These confounders could open backdoor paths and establish non-causal correlations between the input and output. Over-exploiting these non-causal correlations could cause overfitting. In this paper, we first revisit spatiotemporal time series imputation from a causal perspective and show how to block the confounders via the frontdoor adjustment. Based on the results of frontdoor adjustment, we introduce a novel Causality-Aware Spatiotemporal Graph Neural Network (Casper), which contains a novel Prompt Based Decoder (PBD) and a Spatiotemporal Causal Attention (SCA). PBD could reduce the impact of confounders and SCA could discover the sparse causal relationships among embeddings. Theoretical analysis reveals that SCA discovers causal relationships based on the values of gradients. We evaluate Casper on three real-world datasets, and the experimental results show that Casper could outperform the baselines and could effectively discover causal relationships.
Authors: Yifan Chen, Mark Goldstein, Mengjian Hua, Michael S. Albergo, Nicholas M. Boffi, Eric Vanden-Eijnden
Abstract: We propose a framework for probabilistic forecasting of dynamical systems based on generative modeling. Given observations of the system state over time, we formulate the forecasting problem as sampling from the conditional distribution of the future system state given its current state. To this end, we leverage the framework of stochastic interpolants, which facilitates the construction of a generative model between an arbitrary base distribution and the target. We design a fictitious, non-physical stochastic dynamics that takes as initial condition the current system state and produces as output a sample from the target conditional distribution in finite time and without bias. This process therefore maps a point mass centered at the current state onto a probabilistic ensemble of forecasts. We prove that the drift coefficient entering the stochastic differential equation (SDE) achieving this task is non-singular, and that it can be learned efficiently by square loss regression over the time-series data. We show that the drift and the diffusion coefficients of this SDE can be adjusted after training, and that a specific choice that minimizes the impact of the estimation error gives a F\"ollmer process. We highlight the utility of our approach on several complex, high-dimensional forecasting problems, including stochastically forced Navier-Stokes and video prediction on the KTH and CLEVRER datasets.
Authors: Aleksandar Botev, Soham De, Samuel L Smith, Anushan Fernando, George-Cristian Muraru, Ruba Haroun, Leonard Berrada, Razvan Pascanu, Pier Giuseppe Sessa, Robert Dadashi, L\'eonard Hussenot, Johan Ferret, Sertan Girgin, Olivier Bachem, Alek Andreev, Kathleen Kenealy, Thomas Mesnard, Cassidy Hardin, Surya Bhupatiraju, Shreya Pathak, Laurent Sifre, Morgane Rivi\`ere, Mihir Sanjay Kale, Juliette Love, Pouya Tafti, Armand Joulin, Noah Fiedel, Evan Senter, Yutian Chen, Srivatsan Srinivasan, Guillaume Desjardins, David Budden, Arnaud Doucet, Sharad Vikram, Adam Paszke, Trevor Gale, Sebastian Borgeaud, Charlie Chen, Andy Brock, Antonia Paterson, Jenny Brennan, Meg Risdal, Raj Gundluru, Nesh Devanathan, Paul Mooney, Nilay Chauhan, Phil Culliton, Luiz Gustavo Martins, Elisa Bandy, David Huntsperger, Glenn Cameron, Arthur Zucker, Tris Warkentin, Ludovic Peran, Minh Giang, Zoubin Ghahramani, Cl\'ement Farabet, Koray Kavukcuoglu, Demis Hassabis, Raia Hadsell, Yee Whye Teh, Nando de Frietas
Abstract: We introduce RecurrentGemma, a family of open language models which uses Google's novel Griffin architecture. Griffin combines linear recurrences with local attention to achieve excellent performance on language. It has a fixed-sized state, which reduces memory use and enables efficient inference on long sequences. We provide two sizes of models, containing 2B and 9B parameters, and provide pre-trained and instruction tuned variants for both. Our models achieve comparable performance to similarly-sized Gemma baselines despite being trained on fewer tokens.
Authors: Shuo Liu, Di Yao, Lanting Fang, Zhetao Li, Wenbin Li, Kaiyu Feng, XiaoWen Ji, Jingping Bi
Abstract: Detecting anomaly edges for dynamic graphs aims to identify edges significantly deviating from the normal pattern and can be applied in various domains, such as cybersecurity, financial transactions and AIOps. With the evolving of time, the types of anomaly edges are emerging and the labeled anomaly samples are few for each type. Current methods are either designed to detect randomly inserted edges or require sufficient labeled data for model training, which harms their applicability for real-world applications. In this paper, we study this problem by cooperating with the rich knowledge encoded in large language models(LLMs) and propose a method, namely AnomalyLLM. To align the dynamic graph with LLMs, AnomalyLLM pre-trains a dynamic-aware encoder to generate the representations of edges and reprograms the edges using the prototypes of word embeddings. Along with the encoder, we design an in-context learning framework that integrates the information of a few labeled samples to achieve few-shot anomaly detection. Experiments on four datasets reveal that AnomalyLLM can not only significantly improve the performance of few-shot anomaly detection, but also achieve superior results on new anomalies without any update of model parameters.
Authors: Yujie Lin, Dong Li, Chen Zhao, Minglai Shao
Abstract: Fairness-aware domain generalization (FairDG) has emerged as a critical challenge for deploying trustworthy AI systems, particularly in scenarios involving distribution shifts. Traditional methods for addressing fairness have failed in domain generalization due to their lack of consideration for distribution shifts. Although disentanglement has been used to tackle FairDG, it is limited by its strong assumptions. To overcome these limitations, we propose Fairness-aware Classifier-Guided Score-based Diffusion Models (FADE) as a novel approach to effectively address the FairDG issue. Specifically, we first pre-train a score-based diffusion model (SDM) and two classifiers to equip the model with strong generalization capabilities across different domains. Then, we guide the SDM using these pre-trained classifiers to effectively eliminate sensitive information from the generated data. Finally, the generated fair data is used to train downstream classifiers, ensuring robust performance under new data distributions. Extensive experiments on three real-world datasets demonstrate that FADE not only enhances fairness but also improves accuracy in the presence of distribution shifts. Additionally, FADE outperforms existing methods in achieving the best accuracy-fairness trade-offs.
Authors: Mark Deutel, Frank Hannig, Christopher Mutschler, J\"urgen Teich
Abstract: On-device training of DNNs allows models to adapt and fine-tune to newly collected data or changing domains while deployed on microcontroller units (MCUs). However, DNN training is a resource-intensive task, making the implementation and execution of DNN training algorithms on MCUs challenging due to low processor speeds, constrained throughput, limited floating-point support, and memory constraints. In this work, we explore on-device training of DNNs for Cortex-M MCUs. We present a method that enables efficient training of DNNs completely in place on the MCU using fully quantized training (FQT) and dynamic partial gradient updates. We demonstrate the feasibility of our approach on multiple vision and time-series datasets and provide insights into the tradeoff between training accuracy, memory overhead, energy, and latency on real hardware.
Authors: Sai Koukuntla, Joshua B. Julian, Jesse C. Kaminsky, Manuel Schottdorf, David W. Tank, Carlos D. Brody, Adam S. Charles
Abstract: Modern applications often leverage multiple views of a subject of study. Within neuroscience, there is growing interest in large-scale simultaneous recordings across multiple brain regions. Understanding the relationship between views (e.g., the neural activity in each region recorded) can reveal fundamental principles about the characteristics of each representation and about the system. However, existing methods to characterize such relationships either lack the expressivity required to capture complex nonlinearities, describe only sources of variance that are shared between views, or discard geometric information that is crucial to interpreting the data. Here, we develop a nonlinear neural network-based method that, given paired samples of high-dimensional views, disentangles low-dimensional shared and private latent variables underlying these views while preserving intrinsic data geometry. Across multiple simulated and real datasets, we demonstrate that our method outperforms competing methods. Using simulated populations of lateral geniculate nucleus (LGN) and V1 neurons we demonstrate our model's ability to discover interpretable shared and private structure across different noise conditions. On a dataset of unrotated and corresponding but randomly rotated MNIST digits, we recover private latents for the rotated view that encode rotation angle regardless of digit class, and places the angle representation on a 1-d manifold, while shared latents encode digit class but not rotation angle. Applying our method to simultaneous Neuropixels recordings of hippocampus and prefrontal cortex while mice run on a linear track, we discover a low-dimensional shared latent space that encodes the animal's position. We propose our approach as a general-purpose method for finding succinct and interpretable descriptions of paired data sets in terms of disentangled shared and private latent variables.
Authors: Andr\'es Catalino Castillo Jim\'enez, Ege C. Kaya, Lintao Ye, Abolfazl Hashemi
Abstract: In a conventional Federated Learning framework, client selection for training typically involves the random sampling of a subset of clients in each iteration. However, this random selection often leads to disparate performance among clients, raising concerns regarding fairness, particularly in applications where equitable outcomes are crucial, such as in medical or financial machine learning tasks. This disparity typically becomes more pronounced with the advent of performance-centric client sampling techniques. This paper introduces two novel methods, namely SUBTRUNC and UNIONFL, designed to address the limitations of random client selection. Both approaches utilize submodular function maximization to achieve more balanced models. By modifying the facility location problem, they aim to mitigate the fairness concerns associated with random selection. SUBTRUNC leverages client loss information to diversify solutions, while UNIONFL relies on historical client selection data to ensure a more equitable performance of the final model. Moreover, these algorithms are accompanied by robust theoretical guarantees regarding convergence under reasonable assumptions. The efficacy of these methods is demonstrated through extensive evaluations across heterogeneous scenarios, revealing significant improvements in fairness as measured by a client dissimilarity metric.
Authors: Luyue Xu, Liming Wang, Hong Xie, Mingqiang Zhou
Abstract: Contextual bandits serve as a fundamental algorithmic framework for optimizing recommendation decisions online. Though extensive attention has been paid to tailoring contextual bandits for recommendation applications, the "herding effects" in user feedback have been ignored. These herding effects bias user feedback toward historical ratings, breaking down the assumption of unbiased feedback inherent in contextual bandits. This paper develops a novel variant of the contextual bandit that is tailored to address the feedback bias caused by the herding effects. A user feedback model is formulated to capture this feedback bias. We design the TS-Conf (Thompson Sampling under Conformity) algorithm, which employs posterior sampling to balance the exploration and exploitation tradeoff. We prove an upper bound for the regret of the algorithm, revealing the impact of herding effects on learning speed. Extensive experiments on datasets demonstrate that TS-Conf outperforms four benchmark algorithms. Analysis reveals that TS-Conf effectively mitigates the negative impact of herding effects, resulting in faster learning and improved recommendation accuracy.
Authors: Sam Varghese, Rahul Anand, Dr. Gaurav Paliwal
Abstract: Concrete manufacturing projects are one of the most common ones for consulting agencies. Because of the highly non-linear dependency of input materials like ash, water, cement, superplastic, etc; with the resultant strength of concrete, it gets difficult for machine learning models to successfully capture this relation and perform cost optimizations. This paper highlights how PINNs (Physics Informed Neural Networks) can be useful in the given situation. This state-of-the-art model shall also get compared with traditional models like Linear Regression, Random Forest, Gradient Boosting, and Deep Neural Network. Results of the research highlights how well PINNs performed even with reduced dataset, thus resolving one of the biggest issues of limited data availability for ML models. On an average, PINN got the loss value reduced by 26.3% even with 40% lesser data compared to the Deep Neural Network. In addition to predicting strength of the concrete given the quantity of raw materials, the paper also highlights the use of heuristic optimization method like Particle Swarm Optimization (PSO) in predicting quantity of raw materials required to manufacture concrete of given strength with least cost.
Authors: Nisal Ranasinghe, Yu Xia, Sachith Seneviratne, Saman Halgamuge
Abstract: Neural networks are powerful function approximators, yet their ``black-box" nature often renders them opaque and difficult to interpret. While many post-hoc explanation methods exist, they typically fail to capture the underlying reasoning processes of the networks. A truly interpretable neural network would be trained similarly to conventional models using techniques such as backpropagation, but additionally provide insights into the learned input-output relationships. In this work, we introduce the concept of interpretability pipelineing, to incorporate multiple interpretability techniques to outperform each individual technique. To this end, we first evaluate several architectures that promise such interpretability, with a particular focus on two recent models selected for their potential to incorporate interpretability into standard neural network architectures while still leveraging backpropagation: the Growing Interpretable Neural Network (GINN) and Kolmogorov Arnold Networks (KAN). We analyze the limitations and strengths of each and introduce a novel interpretable neural network GINN-KAN that synthesizes the advantages of both models. When tested on the Feynman symbolic regression benchmark datasets, GINN-KAN outperforms both GINN and KAN. To highlight the capabilities and the generalizability of this approach, we position GINN-KAN as an alternative to conventional black-box networks in Physics-Informed Neural Networks (PINNs). We expect this to have far-reaching implications in the application of deep learning pipelines in the natural sciences. Our experiments with this interpretable PINN on 15 different partial differential equations demonstrate that GINN-KAN augmented PINNs outperform PINNs with black-box networks in solving differential equations and surpass the capabilities of both GINN and KAN.
Authors: Steffen Gr\"unew\"alder
Abstract: We study approaches for compressing the empirical measure in the context of finite dimensional reproducing kernel Hilbert spaces (RKHSs). In this context, the empirical measure is contained within a natural convex set and can be approximated using convex optimization methods. Such an approximation gives rise to a coreset of data points. A key quantity that controls how large such a coreset has to be is the size of the largest ball around the empirical measure that is contained within the empirical convex set. The bulk of our work is concerned with deriving high probability lower bounds on the size of such a ball under various conditions and in various settings: we show how conditions on the density of the data and the kernel function can be used to infer such lower bounds; we further develop an approach that uses a lower bound on the smallest eigenvalue of a covariance operator to provide lower bounds on the size of such a ball; we extend the approach to approximate covariance operators and we show how it can be used in the context of kernel ridge regression. We also derive compression guarantees when standard algorithms like the conditional gradient method are used and we discuss variations of such algorithms to improve the runtime of these standard algorithms. We conclude with a construction of an infinite dimensional RKHS for which the compression is poor, highlighting some of the difficulties one faces when trying to move to infinite dimensional RKHSs.
Authors: Hyemin Gu, Panagiota Birmpa, Yannis Pantazis, Luc Rey-Bellet, Markos A. Katsoulakis
Abstract: We build a new class of generative algorithms capable of efficiently learning an arbitrary target distribution from possibly scarce, high-dimensional data and subsequently generate new samples. These generative algorithms are particle-based and are constructed as gradient flows of Lipschitz-regularized Kullback-Leibler or other $f$-divergences, where data from a source distribution can be stably transported as particles, towards the vicinity of the target distribution. As a highlighted result in data integration, we demonstrate that the proposed algorithms correctly transport gene expression data points with dimension exceeding 54K, while the sample size is typically only in the hundreds.
Authors: Zhiqiu Lin, Samuel Yu, Zhiyi Kuang, Deepak Pathak, Deva Ramanan
Abstract: The ability to quickly learn a new task with minimal instruction - known as few-shot learning - is a central aspect of intelligent agents. Classical few-shot benchmarks make use of few-shot samples from a single modality, but such samples may not be sufficient to characterize an entire concept class. In contrast, humans use cross-modal information to learn new concepts efficiently. In this work, we demonstrate that one can indeed build a better ${\bf visual}$ dog classifier by ${\bf read}$ing about dogs and ${\bf listen}$ing to them bark. To do so, we exploit the fact that recent multimodal foundation models such as CLIP learn cross-modal encoders that map different modalities to the same representation space. Specifically, we propose a simple strategy for ${\bf cross-modal}$ ${\bf adaptation}$: we treat examples from different modalities as additional few-shot examples. For example, by simply repurposing class names as an additional training sample, we trivially turn any n-shot learning problem into a (n+1)-shot problem. This allows us to produce SOTA results with embarrassingly simple linear classifiers. We show that our approach can be combined with existing methods such as prefix tuning, adapters, and classifier ensembling. Finally, to explore other modalities beyond vision and language, we construct the first (to our knowledge) audiovisual few-shot benchmark and use cross-modal training to improve the performance of both image and audio classification.
Authors: Shishir Adhikari, Elena Zheleva
Abstract: Causal inference in networks should account for interference, which occurs when a unit's outcome is influenced by treatments or outcomes of peers. Heterogeneous peer influence (HPI) occurs when a unit's outcome is influenced differently by different peers based on their attributes and relationships, or when each unit has a different susceptibility to peer influence. Existing solutions to estimating direct causal effects under interference consider either homogeneous influence from peers or specific heterogeneous influence mechanisms (e.g., based on local neighborhood structure). This paper presents a methodology for estimating individual direct causal effects in the presence of HPI where the mechanism of influence is not known a priori. We propose a structural causal model for networks that can capture different possible assumptions about network structure, interference conditions, and causal dependence and enables reasoning about identifiability in the presence of HPI. We find potential heterogeneous contexts using the causal model and propose a novel graph neural network-based estimator to estimate individual direct causal effects. We show that state-of-the-art methods for individual direct effect estimation produce biased results in the presence of HPI, and that our proposed estimator is robust.
Authors: Mohammed Latif Siddiq, Beatrice Casey, Joanna C. S. Santos
Abstract: In recent years, the use of automated source code generation utilizing transformer-based generative models has expanded, and these models can generate functional code according to the requirements of the developers. However, recent research revealed that these automatically generated source codes can contain vulnerabilities and other quality issues. Despite researchers' and practitioners' attempts to enhance code generation models, retraining and fine-tuning large language models is time-consuming and resource-intensive. Thus, we describe FRANC, a lightweight framework for recommending more secure and high-quality source code derived from transformer-based code generation models. FRANC includes a static filter to make the generated code compilable with heuristics and a quality-aware ranker to sort the code snippets based on a quality score. Moreover, the framework uses prompt engineering to fix persistent quality issues. We evaluated the framework with five Python and Java code generation models and six prompt datasets, including a newly created one in this work (SOEval). The static filter improves 9% to 46% Java suggestions and 10% to 43% Python suggestions regarding compilability. The average improvement over the NDCG@10 score for the ranking system is 0.0763, and the repairing techniques repair the highest 80% of prompts. FRANC takes, on average, 1.98 seconds for Java; for Python, it takes 0.08 seconds.
Authors: Xinyue Hu, Lin Gu, Qiyuan An, Mengliang Zhang, Liangchen Liu, Kazuma Kobayashi, Tatsuya Harada, Ronald M. Summers, Yingying Zhu
Abstract: To contribute to automating the medical vision-language model, we propose a novel Chest-Xray Difference Visual Question Answering (VQA) task. Given a pair of main and reference images, this task attempts to answer several questions on both diseases and, more importantly, the differences between them. This is consistent with the radiologist's diagnosis practice that compares the current image with the reference before concluding the report. We collect a new dataset, namely MIMIC-Diff-VQA, including 700,703 QA pairs from 164,324 pairs of main and reference images. Compared to existing medical VQA datasets, our questions are tailored to the Assessment-Diagnosis-Intervention-Evaluation treatment procedure used by clinical professionals. Meanwhile, we also propose a novel expert knowledge-aware graph representation learning model to address this task. The proposed baseline model leverages expert knowledge such as anatomical structure prior, semantic, and spatial knowledge to construct a multi-relationship graph, representing the image differences between two images for the image difference VQA task. The dataset and code can be found at https://github.com/Holipori/MIMIC-Diff-VQA. We believe this work would further push forward the medical vision language model.
Authors: Paul N. Patrone, Raquel A. Binder, Catherine S. Forconi, Ann M. Moormann, Anthony J. Kearsley
Abstract: Diagnostic testing provides a unique setting for studying and developing tools in classification theory. In such contexts, the concept of prevalence, i.e. the number of individuals with a given condition, is fundamental, both as an inherent quantity of interest and as a parameter that controls classification accuracy. This manuscript is the first in a two-part series that studies deeper connections between classification theory and prevalence, showing how the latter establishes a more complete theory of uncertainty quantification (UQ) for certain types of machine learning (ML). We motivate this analysis via a lemma demonstrating that general classifiers minimizing a prevalence-weighted error contain the same probabilistic information as Bayes-optimal classifiers, which depend on conditional probability densities. This leads us to study relative probability level-sets $B^\star (q)$, which are reinterpreted as both classification boundaries and useful tools for quantifying uncertainty in class labels. To realize this in practice, we also propose a numerical, homotopy algorithm that estimates the $B^\star (q)$ by minimizing a prevalence-weighted empirical error. The successes and shortcomings of this method motivate us to revisit properties of the level sets, and we deduce the corresponding classifiers obey a useful monotonicity property that stabilizes the numerics and points to important extensions to UQ of ML. Throughout, we validate our methods in the context of synthetic data and a research-use-only SARS-CoV-2 enzyme-linked immunosorbent (ELISA) assay.
Authors: Andreas Madsen, Siva Reddy, Sarath Chandar
Abstract: A common approach to explaining NLP models is to use importance measures that express which tokens are important for a prediction. Unfortunately, such explanations are often wrong despite being persuasive. Therefore, it is essential to measure their faithfulness. One such metric is if tokens are truly important, then masking them should result in worse model performance. However, token masking introduces out-of-distribution issues, and existing solutions that address this are computationally expensive and employ proxy models. Furthermore, other metrics are very limited in scope. This work proposes an inherently faithfulness measurable model that addresses these challenges. This is achieved using a novel fine-tuning method that incorporates masking, such that masking tokens become in-distribution by design. This differs from existing approaches, which are completely model-agnostic but are inapplicable in practice. We demonstrate the generality of our approach by applying it to 16 different datasets and validate it using statistical in-distribution tests. The faithfulness is then measured with 9 different importance measures. Because masking is in-distribution, importance measures that themselves use masking become consistently more faithful. Additionally, because the model makes faithfulness cheap to measure, we can optimize explanations towards maximal faithfulness; thus, our model becomes indirectly inherently explainable.
Authors: Yu Sun, Zihui Wu, Yifan Chen, Berthy T. Feng, Katherine L. Bouman
Abstract: Estimating high-quality images while also quantifying their uncertainty are two desired features in an image reconstruction algorithm for solving ill-posed inverse problems. In this paper, we propose plug-and-play Monte Carlo (PMC) as a principled framework for characterizing the space of possible solutions to a general inverse problem. PMC is able to incorporate expressive score-based generative priors for high-quality image reconstruction while also performing uncertainty quantification via posterior sampling. In particular, we develop two PMC algorithms that can be viewed as the sampling analogues of the traditional plug-and-play priors (PnP) and regularization by denoising (RED) algorithms. To improve the sampling efficiency, we introduce weighted annealing into these PMC algorithms, further developing two additional annealed PMC algorithms (APMC). We establish a theoretical analysis for characterizing the convergence behavior of PMC algorithms. Our analysis provides non-asymptotic stationarity guarantees in terms of the Fisher information, fully compatible with the joint presence of weighted annealing, potentially non-log-concave likelihoods, and imperfect score networks. We demonstrate the performance of the PMC algorithms on multiple representative inverse problems with both linear and nonlinear forward models. Experimental results show that PMC significantly improves reconstruction quality and enables high-fidelity uncertainty quantification.
Authors: Pourya Behmandpoor, Mark Eisen, Panagiotis Patrinos, Marc Moonen
Abstract: Deep learning (DL) based resource allocation (RA) has recently gained significant attention due to its performance efficiency. However, most related studies assume an ideal case where the number of users and their utility demands, e.g., data rate constraints, are fixed, and the designed DL-based RA scheme exploits a policy trained only for these fixed parameters. Consequently, computationally complex policy retraining is required whenever these parameters change. In this paper, we introduce a DL-based resource allocator (ALCOR) that allows users to adjust their utility demands freely, such as based on their application layer requirements. ALCOR employs deep neural networks (DNNs) as the policy in a time-sharing problem. The underlying optimization algorithm iteratively optimizes the on-off status of users to satisfy their utility demands in expectation. The policy performs unconstrained RA (URA)--RA without considering user utility demands--among active users to maximize the sum utility (SU) at each time instant. Depending on the chosen URA scheme, ALCOR can perform RA in either a centralized or distributed scenario. Derived convergence analyses provide guarantees for ALCOR's convergence, and numerical experiments corroborate its effectiveness.
Authors: Felix Tristram, Stefano Gasperini, Nassir Navab, Federico Tombari
Abstract: Recent neural rendering and reconstruction techniques, such as NeRFs or Gaussian Splatting, have shown remarkable novel view synthesis capabilities but require hundreds of images of the scene from diverse viewpoints to render high-quality novel views. With fewer images available, these methods start to fail since they can no longer correctly triangulate the underlying 3D geometry and converge to a non-optimal solution. These failures can manifest as floaters or blurry renderings in sparsely observed areas of the scene. In this paper, we propose Re-Nerfing, a simple and general add-on approach that leverages novel view synthesis itself to tackle this problem. Using an already trained NVS method, we render novel views between existing ones and augment the training data to optimize a second model. This introduces additional multi-view constraints and allows the second model to converge to a better solution. With Re-Nerfing we achieve significant improvements upon multiple pipelines based on NeRF and Gaussian-Splatting in sparse view settings of the mip-NeRF 360 and LLFF datasets. Notably, Re-Nerfing does not require prior knowledge or extra supervision signals, making it a flexible and practical add-on.
Authors: Shuangquan Feng, Junhua Ma, Virginia R. de Sa
Abstract: Researchers have proposed to use data of human preference feedback to fine-tune text-to-image generative models. However, the scalability of human feedback collection has been limited by its reliance on manual annotation. Therefore, we develop and test a method to automatically score user preferences from their spontaneous facial expression reaction to the generated images. We collect a dataset of Facial Expression Reaction to Generated Images (FERGI) and show that the activations of multiple facial action units (AUs) are highly correlated with user evaluations of the generated images. We develop an FAU-Net (Facial Action Units Neural Network), which receives inputs from an AU estimation model, to automatically score user preferences for text-to-image generation based on their facial expression reactions, which is complementary to the pre-trained scoring models based on the input text prompts and generated images. Integrating our FAU-Net valence score with the pre-trained scoring models improves their consistency with human preferences. This method of automatic annotation with facial expression analysis can be potentially generalized to other generation tasks. The code is available at https://github.com/ShuangquanFeng/FERGI, and the dataset is also available at the same link for research purposes.
Authors: Michael Feffer, Anusha Sinha, Wesley Hanwen Deng, Zachary C. Lipton, Hoda Heidari
Abstract: In response to rising concerns surrounding the safety, security, and trustworthiness of Generative AI (GenAI) models, practitioners and regulators alike have pointed to AI red-teaming as a key component of their strategies for identifying and mitigating these risks. However, despite AI red-teaming's central role in policy discussions and corporate messaging, significant questions remain about what precisely it means, what role it can play in regulation, and how it relates to conventional red-teaming practices as originally conceived in the field of cybersecurity. In this work, we identify recent cases of red-teaming activities in the AI industry and conduct an extensive survey of relevant research literature to characterize the scope, structure, and criteria for AI red-teaming practices. Our analysis reveals that prior methods and practices of AI red-teaming diverge along several axes, including the purpose of the activity (which is often vague), the artifact under evaluation, the setting in which the activity is conducted (e.g., actors, resources, and methods), and the resulting decisions it informs (e.g., reporting, disclosure, and mitigation). In light of our findings, we argue that while red-teaming may be a valuable big-tent idea for characterizing GenAI harm mitigations, and that industry may effectively apply red-teaming and other strategies behind closed doors to safeguard AI, gestures towards red-teaming (based on public definitions) as a panacea for every possible risk verge on security theater. To move toward a more robust toolbox of evaluations for generative AI, we synthesize our recommendations into a question bank meant to guide and scaffold future AI red-teaming practices.
Authors: Piero Fraternali, Luca Morandini, Sergio Luis Herrera Gonz\'alez
Abstract: The detection and characterization of illegal solid waste disposal sites are essential for environmental protection, particularly for mitigating pollution and health hazards. Improperly managed landfills contaminate soil and groundwater via rainwater infiltration, posing threats to both animals and humans. Traditional landfill identification approaches, such as on-site inspections, are time-consuming and expensive. Remote sensing is a cost-effective solution for the identification and monitoring of solid waste disposal sites that enables broad coverage and repeated acquisitions over time. Earth Observation (EO) satellites, equipped with an array of sensors and imaging capabilities, have been providing high-resolution data for several decades. Researchers proposed specialized techniques that leverage remote sensing imagery to perform a range of tasks such as waste site detection, dumping site monitoring, and assessment of suitable locations for new landfills. This review aims to provide a detailed illustration of the most relevant proposals for the detection and monitoring of solid waste sites by describing and comparing the approaches, the implemented techniques, and the employed data. Furthermore, since the data sources are of the utmost importance for developing an effective solid waste detection model, a comprehensive overview of the satellites and publicly available data sets is presented. Finally, this paper identifies the open issues in the state-of-the-art and discusses the relevant research directions for reducing the costs and improving the effectiveness of novel solid waste detection methods.
Authors: Alvin Grissom II, Ryan F. Lei, Matt Gusdorff, Jeova Farias Sales Rocha Neto, Bailey Lin, Ryan Trotter
Abstract: Generative adversarial networks (GANs) generate photorealistic faces that are often indistinguishable by humans from real faces. While biases in machine learning models are often assumed to be due to biases in training data, we find pathological internal color and luminance biases in the discriminator of a pre-trained StyleGAN3-r model that are not explicable by the training data. We also find that the discriminator systematically stratifies scores by both image- and face-level qualities and that this disproportionately affects images across gender, race, and other categories. We examine axes common in research on stereotyping in social psychology.
Authors: Grgur Kova\v{c}, R\'emy Portelas, Masataka Sawayama, Peter Ford Dominey, Pierre-Yves Oudeyer
Abstract: The standard way to study Large Language Models (LLMs) with benchmarks or psychology questionnaires is to provide many different queries from similar minimal contexts (e.g. multiple choice questions). However, due to LLMs' highly context-dependent nature, conclusions from such minimal-context evaluations may be little informative about the model's behavior in deployment (where it will be exposed to many new contexts). We argue that context-dependence (specifically, value stability) should be studied as a specific property of LLMs and used as another dimension of LLM comparison (alongside others such as cognitive abilities, knowledge, or model size). We present a case-study on the stability of value expression over different contexts (simulated conversations on different topics) as measured using a standard psychology questionnaire (PVQ) and on behavioral downstream tasks. Reusing methods from psychology, we study Rank-order stability on the population (interpersonal) level, and Ipsative stability on the individual (intrapersonal) level. We consider two settings (with and without instructing LLMs to simulate particular personas), two simulated populations, and three downstream tasks. We observe consistent trends in the stability of models and model families - Mixtral, Mistral, GPT-3.5 and Qwen families are more stable than LLaMa-2 and Phi. The consistency of these trends implies that some models exhibit higher value stability than others, and that stability can be estimated with the set of introduced methodological tools. When instructed to simulate particular personas, LLMs exhibit low Rank-order stability, which further diminishes with conversation length. This highlights the need for future research on LLMs that coherently simulate different personas. This paper provides a foundational step in that direction, and, to our knowledge, it is the first study of value stability in LLMs.
Authors: Raven Rothkopf, Hannah Tongxin Zeng, Mark Santolucito
Abstract: The surge in popularity of large language models (LLMs) has opened doors for new approaches to the creation of interactive agents. However, managing and interpreting the temporal behavior of such agents over the course of a potentially infinite interaction remain challenging. The stateful, long-term horizon reasoning required for coherent agent behavior does not fit well into the LLM paradigm. We propose a combination of formal logic-based program synthesis and LLM content generation to bring guarantees of procedural adherence and interpretability to generative agent behavior. To illustrate the benefit of procedural adherence and interpretability, we use Temporal Stream Logic (TSL) to generate an automaton that enforces an interpretable, high-level temporal structure on an agent. With the automaton tracking the context of the interaction and making decisions to guide the conversation accordingly, we can drive content generation in a way that allows the LLM to focus on a shorter context window. We evaluated our approach on different tasks involved in creating an interactive agent specialized for generating choose-your-own-adventure games. We found that over all of the tasks, an automaton-enhanced agent with procedural guarantees achieves at least 96% adherence to its temporal constraints, whereas a purely LLM-based agent demonstrates as low as 14.67% adherence.
Authors: Igor Carrara, Bruno Aristimunha, Marie-Constance Corsi, Raphael Y. de Camargo, Sylvain Chevallier, Th\'eodore Papadopoulo
Abstract: Objective: The integration of Deep Learning (DL) algorithms on brain signal analysis is still in its nascent stages compared to their success in fields like Computer Vision. This is particularly true for BCI, where the brain activity is decoded to control external devices without requiring muscle control. Electroencephalography (EEG) is a widely adopted choice for designing BCI systems due to its non-invasive and cost-effective nature and excellent temporal resolution. Still, it comes at the expense of limited training data, poor signal-to-noise, and a large variability across and within-subject recordings. Finally, setting up a BCI system with many electrodes takes a long time, hindering the widespread adoption of reliable DL architectures in BCIs outside research laboratories. To improve adoption, we need to improve user comfort using, for instance, reliable algorithms that operate with few electrodes. Approach: Our research aims to develop a DL algorithm that delivers effective results with a limited number of electrodes. Taking advantage of the Augmented Covariance Method and the framework of SPDNet, we propose the Phase-SPDNet architecture and analyze its performance and the interpretability of the results. The evaluation is conducted on 5-fold cross-validation, using only three electrodes positioned above the Motor Cortex. The methodology was tested on nearly 100 subjects from several open-source datasets using the Mother Of All BCI Benchmark (MOABB) framework. Main results: The results of our Phase-SPDNet demonstrate that the augmented approach combined with the SPDNet significantly outperforms all the current state-of-the-art DL architecture in MI decoding. Significance: This new architecture is explainable and with a low number of trainable parameters.
Authors: Navid Hashemi, Bardh Hoxha, Danil Prokhorov, Georgios Fainekos, Jyotirmoy Deshmukh
Abstract: This paper introduces a model-based approach for training feedback controllers for an autonomous agent operating in a highly nonlinear (albeit deterministic) environment. We desire the trained policy to ensure that the agent satisfies specific task objectives and safety constraints, both expressed in Discrete-Time Signal Temporal Logic (DT-STL). One advantage for reformulation of a task via formal frameworks, like DT-STL, is that it permits quantitative satisfaction semantics. In other words, given a trajectory and a DT-STL formula, we can compute the {\em robustness}, which can be interpreted as an approximate signed distance between the trajectory and the set of trajectories satisfying the formula. We utilize feedback control, and we assume a feed forward neural network for learning the feedback controller. We show how this learning problem is similar to training recurrent neural networks (RNNs), where the number of recurrent units is proportional to the temporal horizon of the agent's task objectives. This poses a challenge: RNNs are susceptible to vanishing and exploding gradients, and na\"{i}ve gradient descent-based strategies to solve long-horizon task objectives thus suffer from the same problems. To tackle this challenge, we introduce a novel gradient approximation algorithm based on the idea of dropout or gradient sampling. One of the main contributions is the notion of {\em controller network dropout}, where we approximate the NN controller in several time-steps in the task horizon by the control input obtained using the controller in a previous training step. We show that our control synthesis methodology, can be quite helpful for stochastic gradient descent to converge with less numerical issues, enabling scalable backpropagation over long time horizons and trajectories over high dimensional state spaces.
Authors: Kutay Y{\i}lmaz, Matthias Nie{\ss}ner, Anastasiia Kornilova, Alexey Artemov
Abstract: Recently, significant progress has been achieved in sensing real large-scale outdoor 3D environments, particularly by using modern acquisition equipment such as LiDAR sensors. Unfortunately, they are fundamentally limited in their ability to produce dense, complete 3D scenes. To address this issue, recent learning-based methods integrate neural implicit representations and optimizable feature grids to approximate surfaces of 3D scenes. However, naively fitting samples along raw LiDAR rays leads to noisy 3D mapping results due to the nature of sparse, conflicting LiDAR measurements. Instead, in this work we depart from fitting LiDAR data exactly, instead letting the network optimize a non-metric monotonic implicit field defined in 3D space. To fit our field, we design a learning system integrating a monotonicity loss that enables optimizing neural monotonic fields and leverages recent progress in large-scale 3D mapping. Our algorithm achieves high-quality dense 3D mapping performance as captured by multiple quantitative and perceptual measures and visual results obtained for Mai City, Newer College, and KITTI benchmarks. The code of our approach will be made publicly available.
Authors: Xiang Li, Feng Ruan, Huiyuan Wang, Qi Long, Weijie J. Su
Abstract: Since ChatGPT was introduced in November 2022, embedding (nearly) unnoticeable statistical signals into text generated by large language models (LLMs), also known as watermarking, has been used as a principled approach to provable detection of LLM-generated text from its human-written counterpart. In this paper, we introduce a general and flexible framework for reasoning about the statistical efficiency of watermarks and designing powerful detection rules. Inspired by the hypothesis testing formulation of watermark detection, our framework starts by selecting a pivotal statistic of the text and a secret key -- provided by the LLM to the verifier -- to enable controlling the false positive rate (the error of mistakenly detecting human-written text as LLM-generated). Next, this framework allows one to evaluate the power of watermark detection rules by obtaining a closed-form expression of the asymptotic false negative rate (the error of incorrectly classifying LLM-generated text as human-written). Our framework further reduces the problem of determining the optimal detection rule to solving a minimax optimization program. We apply this framework to two representative watermarks -- one of which has been internally implemented at OpenAI -- and obtain several findings that can be instrumental in guiding the practice of implementing watermarks. In particular, we derive optimal detection rules for these watermarks under our framework. These theoretically derived detection rules are demonstrated to be competitive and sometimes enjoy a higher power than existing detection approaches through numerical experiments.
Authors: Mohammed Latif Siddiq, Simantika Dristi, Joy Saha, Joanna C. S. Santos
Abstract: Large Language Models (LLMs) are gaining popularity among software engineers. A crucial aspect of developing effective code generation LLMs is to evaluate these models using a robust benchmark. Evaluation benchmarks with quality issues can provide a false sense of performance. In this work, we conduct the first-of-its-kind study of the quality of prompts within benchmarks used to compare the performance of different code generation models. To conduct this study, we analyzed 3,566 prompts from 9 code generation benchmarks to identify quality issues in them. We also investigated whether fixing the identified quality issues in the benchmarks' prompts affects a model's performance. We also studied memorization issues of the evaluation dataset, which can put into question a benchmark's trustworthiness. We found that code generation evaluation benchmarks mainly focused on Python and coding exercises and had very limited contextual dependencies to challenge the model. These datasets and the developers' prompts suffer from quality issues like spelling and grammatical errors, unclear sentences to express developers' intent, and not using proper documentation style. Fixing all these issues in the benchmarks can lead to a better performance for Python code generation, but not a significant improvement was observed for Java code generation. We also found evidence that GPT-3.5-Turbo and CodeGen-2.5 models may have data contamination issues.
Authors: Julia Gonski, Aseem Gupta, Haoyi Jia, Hyunjoon Kim, Lorenzo Rota, Larry Ruckman, Angelo Dragone, Ryan Herbst
Abstract: Embedded field programmable gate array (eFPGA) technology allows the implementation of reconfigurable logic within the design of an application-specific integrated circuit (ASIC). This approach offers the low power and efficiency of an ASIC along with the ease of FPGA configuration, particularly beneficial for the use case of machine learning in the data pipeline of next-generation collider experiments. An open-source framework called "FABulous" was used to design eFPGAs using 130 nm and 28 nm CMOS technology nodes, which were subsequently fabricated and verified through testing. The capability of an eFPGA to act as a front-end readout chip was assessed using simulation of high energy particles passing through a silicon pixel sensor. A machine learning-based classifier, designed for reduction of sensor data at the source, was synthesized and configured onto the eFPGA. A successful proof-of-concept was demonstrated through reproduction of the expected algorithm result on the eFPGA with perfect accuracy. Further development of the eFPGA technology and its application to collider detector readout is discussed.
Authors: Sergio Morales, Robert Claris\'o, Jordi Cabot
Abstract: The development of Machine Learning (ML) based systems is complex and requires multidisciplinary teams with diverse skill sets. This may lead to communication issues or misapplication of best practices. Process models can alleviate these challenges by standardizing task orchestration, providing a common language to facilitate communication, and nurturing a collaborative environment. Unfortunately, current process modeling languages are not suitable for describing the development of such systems. In this paper, we introduce a framework for modeling ML-based software development processes, built around a domain-specific language and derived from an analysis of scientific and gray literature. A supporting toolkit is also available.
Authors: Elvis Han Cui
Abstract: Principal curve is a well-known statistical method oriented in manifold learning using concepts from differential geometry. In this paper, we propose a novel metric-based principal curve (MPC) method that learns one-dimensional manifold of spatial data. Synthetic datasets Real applications using MNIST dataset show that our method can learn the one-dimensional manifold well in terms of the shape.
Authors: Shaohua Wang (State Key Laboratory of Remote Sensing Science, Aerospace Information Research Institute, Chinese Academy of Sciences), Xing Xie (Microsoft Research Asia), Yong Li (Tsinghua University), Danhuai Guo (Beijing University of Chemical Technology), Zhi Cai (Beijing University of Technology), Yu Liu (Peking University), Yang Yue (Shenzhen University), Xiao Pan (Shijiazhuang Railway University), Feng Lu (Institute of Geographic Sciences and Natural Resources Research, Chinese Academy of Sciences), Huayi Wu (Wuhan University), Zhipeng Gui (Wuhan University), Zhiming Ding (Research Institute of Software, Chinese Academy of Sciences), Bolong Zheng (Huazhong University of Science and Technology), Fuzheng Zhang (Fast Natural Language Processing Center and Audio Center), Jingyuan Wang (Beihang University), Zhengchao Chen (State Key Laboratory of Remote Sensing Science, Aerospace Information Research Institute, Chinese Academy of Sciences), Hao Lu (SuperMap Software Co. Ltd), Jiayi Li (Wuhan University), Peng Yue (Wuhan University), Wenhao Yu (China University of Geosciences), Yao Yao (China University of Geosciences), Leilei Sun (Beihang University), Yong Zhang (Beijing University of Technology), Longbiao Chen (Xiamen University), Xiaoping Du (Key Laboratory of Digital Geography, Chinese Academy of Sciences), Xiang Li (East China Normal University), Xueying Zhang (Nanjing Normal University), Kun Qin (Wuhan University), Zhaoya Gong (Peking University), Weihua Dong (Beijing Normal University), Xiaofeng Meng (Renmin University of China)
Abstract: This report focuses on spatial data intelligent large models, delving into the principles, methods, and cutting-edge applications of these models. It provides an in-depth discussion on the definition, development history, current status, and trends of spatial data intelligent large models, as well as the challenges they face. The report systematically elucidates the key technologies of spatial data intelligent large models and their applications in urban environments, aerospace remote sensing, geography, transportation, and other scenarios. Additionally, it summarizes the latest application cases of spatial data intelligent large models in themes such as urban development, multimodal systems, remote sensing, smart transportation, and resource environments. Finally, the report concludes with an overview and outlook on the development prospects of spatial data intelligent large models.
Authors: Ruisi Cai, Saurav Muralidharan, Greg Heinrich, Hongxu Yin, Zhangyang Wang, Jan Kautz, Pavlo Molchanov
Abstract: Training modern LLMs is extremely resource intensive, and customizing them for various deployment scenarios characterized by limited compute and memory resources through repeated training is impractical. In this paper, we introduce Flextron, a network architecture and post-training model optimization framework supporting flexible model deployment. The Flextron architecture utilizes a nested elastic structure to rapidly adapt to specific user-defined latency and accuracy targets during inference with no additional fine-tuning required. It is also input-adaptive, and can automatically route tokens through its sub-networks for improved performance and efficiency. We present a sample-efficient training method and associated routing algorithms for systematically transforming an existing trained LLM into a Flextron model. We evaluate Flextron on the GPT-3 and LLama-2 family of LLMs, and demonstrate superior performance over multiple end-to-end trained variants and other state-of-the-art elastic networks, all with a single pretraining run that consumes a mere 7.63% tokens compared to original pretraining.
Authors: Koki Chinzei, Shinichiro Yamano, Quoc Hoan Tran, Yasuhiro Endo, Hirotaka Oshima
Abstract: Quantum neural networks (QNNs) require an efficient training algorithm to achieve practical quantum advantages. A promising approach is the use of gradient-based optimization algorithms, where gradients are estimated through quantum measurements. However, general QNNs lack an efficient gradient measurement algorithm, which poses a fundamental and practical challenge to realizing scalable QNNs. In this work, we rigorously prove a trade-off between gradient measurement efficiency, defined as the mean number of simultaneously measurable gradient components, and expressivity in a wide class of deep QNNs, elucidating the theoretical limits and possibilities of efficient gradient estimation. This trade-off implies that a more expressive QNN requires a higher measurement cost in gradient estimation, whereas we can increase gradient measurement efficiency by reducing the QNN expressivity to suit a given task. We further propose a general QNN ansatz called the stabilizer-logical product ansatz (SLPA), which can reach the upper limit of the trade-off inequality by leveraging the symmetric structure of the quantum circuit. In learning an unknown symmetric function, the SLPA drastically reduces the quantum resources required for training while maintaining accuracy and trainability compared to a well-designed symmetric circuit based on the parameter-shift method. Our results not only reveal a theoretical understanding of efficient training in QNNs but also provide a standard and broadly applicable efficient QNN design.
Authors: Miriam Fahimi, Mayra Russo, Kristen M. Scott, Maria-Esther Vidal, Bettina Berendt, Katharina Kinder-Kurlanda
Abstract: The field of fair AI aims to counter biased algorithms through computational modelling. However, it faces increasing criticism for perpetuating the use of overly technical and reductionist methods. As a result, novel approaches appear in the field to address more socially-oriented and interdisciplinary (SOI) perspectives on fair AI. In this paper, we take this dynamic as the starting point to study the tension between computer science (CS) and SOI research. By drawing on STS and CSCW theory, we position fair AI research as a matter of 'organizational alignment': what makes research 'doable' is the successful alignment of three levels of work organization (the social world, the laboratory, and the experiment). Based on qualitative interviews with CS researchers, we analyze the tasks, resources, and actors required for doable research in the case of fair AI. We find that CS researchers engage with SOI research to some extent, but organizational conditions, articulation work, and ambiguities of the social world constrain the doability of SOI research for them. Based on our findings, we identify and discuss problems for aligning CS and SOI as fair AI continues to evolve.
Authors: Robert Wolfe, Aayushi Dangol, Alexis Hiniker, Bill Howe
Abstract: Multimodal AI models capable of associating images and text hold promise for numerous domains, ranging from automated image captioning to accessibility applications for blind and low-vision users. However, uncertainty about bias has in some cases limited their adoption and availability. In the present work, we study 43 CLIP vision-language models to determine whether they learn human-like facial impression biases, and we find evidence that such biases are reflected across three distinct CLIP model families. We show for the first time that the the degree to which a bias is shared across a society predicts the degree to which it is reflected in a CLIP model. Human-like impressions of visually unobservable attributes, like trustworthiness and sexuality, emerge only in models trained on the largest dataset, indicating that a better fit to uncurated cultural data results in the reproduction of increasingly subtle social biases. Moreover, we use a hierarchical clustering approach to show that dataset size predicts the extent to which the underlying structure of facial impression bias resembles that of facial impression bias in humans. Finally, we show that Stable Diffusion models employing CLIP as a text encoder learn facial impression biases, and that these biases intersect with racial biases in Stable Diffusion XL-Turbo. While pretrained CLIP models may prove useful for scientific studies of bias, they will also require significant dataset curation when intended for use as general-purpose models in a zero-shot setting.
Authors: Omer Gokalp Serbetci, Daoud Burghal, Andreas F. Molisch
Abstract: Indoor localization is a challenging problem that - unlike outdoor localization - lacks a universal and robust solution. Machine Learning (ML), particularly Deep Learning (DL), methods have been investigated as a promising approach. Although such methods bring remarkable localization accuracy, they heavily depend on the training data collected from the environment. The data collection is usually a laborious and time-consuming task, but Data Augmentation (DA) can be used to alleviate this issue. In this paper, different from previously used DA, we propose methods that utilize the domain knowledge about wireless propagation channels and devices. The methods exploit the typical hardware component drift in the transceivers and/or the statistical behavior of the channel, in combination with the measured Power Delay Profile (PDP). We comprehensively evaluate the proposed methods to demonstrate their effectiveness. This investigation mainly focuses on the impact of factors such as the number of measurements, augmentation proportion, and the environment of interest impact the effectiveness of the different DA methods. We show that in the low-data regime (few actual measurements available), localization accuracy increases up to 50%, matching non-augmented results in the high-data regime. In addition, the proposed methods may outperform the measurement-only high-data performance by up to 33% using only 1/4 of the amount of measured data. We also exhibit the effect of different training data distribution and quality on the effectiveness of DA. Finally, we demonstrate the power of the proposed methods when employed along with Transfer Learning (TL) to address the data scarcity in target and/or source environments.
Authors: Xin Hao, Bahareh Nakisa, Mohmmad Naim Rastgoo, Richard Dazeley
Abstract: In human-AI coordination scenarios, human agents usually exhibit asymmetric behaviors that are significantly sparse and unpredictable compared to those of AI agents. These characteristics introduce two primary challenges to human-AI coordination: the effectiveness of obtaining sparse rewards and the efficiency of training the AI agents. To tackle these challenges, we propose an Intrinsic Reward-enhanced Context-aware (IReCa) reinforcement learning (RL) algorithm, which leverages intrinsic rewards to facilitate the acquisition of sparse rewards and utilizes environmental context to enhance training efficiency. Our IReCa RL algorithm introduces three unique features: (i) it encourages the exploration of sparse rewards by incorporating intrinsic rewards that supplement traditional extrinsic rewards from the environment; (ii) it improves the acquisition of sparse rewards by prioritizing the corresponding sparse state-action pairs; and (iii) it enhances the training efficiency by optimizing the exploration and exploitation through innovative context-aware weights of extrinsic and intrinsic rewards. Extensive simulations executed in the Overcooked layouts demonstrate that our IReCa RL algorithm can increase the accumulated rewards by approximately 20% and reduce the epochs required for convergence by approximately 67% compared to state-of-the-art baselines.
Authors: Zohaib Khan, Muhammad Khaquan, Omer Tafveez, Burhanuddin Samiwala, Agha Ali Raza
Abstract: The Transformer architecture has revolutionized deep learning through its Self-Attention mechanism, which effectively captures contextual information. However, the memory footprint of Self-Attention presents significant challenges for long-sequence tasks. Grouped Query Attention (GQA) addresses this issue by grouping queries and mean-pooling the corresponding key-value heads - reducing the number of overall parameters and memory requirements in a flexible manner without adversely compromising model accuracy. In this work, we introduce enhancements to GQA, focusing on two novel approaches that deviate from the static nature of grouping: Key-Distributed GQA (KDGQA) and Dynamic Key-Distributed GQA (DGQA), which leverage information from the norms of the key heads to inform query allocation. Specifically, KDGQA looks at the ratios of the norms of the key heads during each forward pass, while DGQA examines the ratios of the norms as they evolve through training. Additionally, we present Perturbed GQA (PGQA) as a case-study, which introduces variability in (static) group formation via subtracting noise from the attention maps. Our experiments with up-trained Vision Transformers, for Image Classification on datasets such as CIFAR-10, CIFAR-100, Food101, and Tiny ImageNet, demonstrate the promise of these variants in improving upon the original GQA through more informed and adaptive grouping mechanisms: specifically ViT-L experiences accuracy gains of up to 8% when utilizing DGQA in comparison to GQA and other variants. We further analyze the impact of the number of Key-Value Heads on performance, underscoring the importance of utilizing query-key affinities. Code is available on GitHub.
Authors: Alex Sanchez-Stern, Abhishek Varghese, Zhanna Kaufman, Dylan Zhang, Talia Ringer, Yuriy Brun
Abstract: Formal verification is a promising method for producing reliable software, but the difficulty of manually writing verification proofs severely limits its utility in practice. Recent methods have automated some proof synthesis by guiding a search through the proof space using a theorem prover. Unfortunately, the theorem prover provides only the crudest estimate of progress, resulting in effectively undirected search. To address this problem, we create QEDCartographer, an automated proof-synthesis tool that combines supervised and reinforcement learning to more effectively explore the proof space. QEDCartographer incorporates the proofs' branching structure, enabling reward-free search and overcoming the sparse reward problem inherent to formal verification. We evaluate QEDCartographer using the CoqGym benchmark of 68.5K theorems from 124 open-source Coq projects. QEDCartographer fully automatically proves 21.4% of the test-set theorems. Previous search-based proof-synthesis tools Tok, Tac, ASTactic, Passport, and Proverbot9001, which rely only on supervised learning, prove 9.6%, 9.8%, 10.9%, 12.5%, and 19.8%, respectively. Diva, which combines 62 tools, proves 19.2%. Comparing to the most effective prior tool, Proverbot9001, QEDCartographer produces 26% shorter proofs 27% faster, on average over the theorems both tools prove. Together, QEDCartographer and non-learning-based CoqHammer prove 31.8% of the theorems, while CoqHammer alone proves 26.6%. Our work demonstrates that reinforcement learning is a fruitful research direction for improving proof-synthesis tools' search mechanisms.
Authors: Qinglong Meng, Chongkun Xia, Xueqian Wang
Abstract: Inverse Kinematics (IK) is to find the robot's configurations that satisfy the target pose of the end effector. In motion planning, diverse configurations were required in case a feasible trajectory was not found. Meanwhile, collision checking (CC), e.g. Oriented bounding box (OBB), Discrete Oriented Polytope (DOP), and Quickhull \cite{quickhull}, needs to be done for each configuration provided by the IK solver to ensure every goal configuration for motion planning is available. This means the classical IK solver and CC algorithm should be executed repeatedly for every configuration. Thus, the preparation time is long when the required number of goal configurations is large, e.g. motion planning in cluster environments. Moreover, structured maps, which might be difficult to obtain, were required by classical collision-checking algorithms. To sidestep such two issues, we propose a flow-based vision method that can output diverse available configurations by fusing inverse kinematics and collision checking, named Vision Inverse Kinematics solver (ViIK). Moreover, ViIK uses RGB images as the perception of environments. ViIK can output 1000 configurations within 40 ms, and the accuracy is about 3 millimeters and 1.5 degrees. The higher accuracy can be obtained by being refined by the classical IK solver within a few iterations. The self-collision rates can be lower than 2%. The collision-with-env rates can be lower than 10% in most scenes. The code is available at: https://github.com/AdamQLMeng/ViIK.
Authors: Frank Nielsen
Abstract: We present a generalization of Bregman divergences in symplectic vector spaces that we term symplectic Bregman divergences. Symplectic Bregman divergences are derived from a symplectic generalization of the Fenchel-Young inequality which relies on the notion of symplectic subdifferentials. The symplectic Fenchel-Young inequality is obtained using the symplectic Fenchel transform which is defined with respect to the symplectic form. Since symplectic forms can be generically built from pairings of dual systems, we get a generalization of Bregman divergences in dual systems obtained by equivalent symplectic Bregman divergences. In particular, when the symplectic form is derived from an inner product, we show that the corresponding symplectic Bregman divergences amount to ordinary Bregman divergences with respect to composite inner products. Some potential applications of symplectic divergences in geometric mechanics, information geometry, and learning dynamics in machine learning are touched upon.
Authors: Yidong Zhou, Jintai Chen, Jinglei Cheng, Gopal Karemore, Marinka Zitnik, Frederic T. Chong, Junyu Liu, Tianfan Fu, Zhiding Liang
Abstract: Drug discovery and development is a highly complex and costly endeavor, typically requiring over a decade and substantial financial investment to bring a new drug to market. Traditional computer-aided drug design (CADD) has made significant progress in accelerating this process, but the development of quantum computing offers potential due to its unique capabilities. This paper discusses the integration of quantum computing into drug discovery and development, focusing on how quantum technologies might accelerate and enhance various stages of the drug development cycle. Specifically, we explore the application of quantum computing in addressing challenges related to drug discovery, such as molecular simulation and the prediction of drug-target interactions, as well as the optimization of clinical trial outcomes. By leveraging the inherent capabilities of quantum computing, we might be able to reduce the time and cost associated with bringing new drugs to market, ultimately benefiting public health.
Authors: Brandon Smart, Chuanxia Zheng, Iro Laina, Victor Adrian Prisacariu
Abstract: In this paper, we introduce Splatt3R, a pose-free, feed-forward method for in-the-wild 3D reconstruction and novel view synthesis from stereo pairs. Given uncalibrated natural images, Splatt3R can predict 3D Gaussian Splats without requiring any camera parameters or depth information. For generalizability, we build Splatt3R upon a ``foundation'' 3D geometry reconstruction method, MASt3R, by extending it to deal with both 3D structure and appearance. Specifically, unlike the original MASt3R which reconstructs only 3D point clouds, we predict the additional Gaussian attributes required to construct a Gaussian primitive for each point. Hence, unlike other novel view synthesis methods, Splatt3R is first trained by optimizing the 3D point cloud's geometry loss, and then a novel view synthesis objective. By doing this, we avoid the local minima present in training 3D Gaussian Splats from stereo views. We also propose a novel loss masking strategy that we empirically find is critical for strong performance on extrapolated viewpoints. We train Splatt3R on the ScanNet++ dataset and demonstrate excellent generalisation to uncalibrated, in-the-wild images. Splatt3R can reconstruct scenes at 4FPS at 512 x 512 resolution, and the resultant splats can be rendered in real-time.
Authors: Simon Kurz, Jian-Jia Chen, Lucie Flek, Zhixue Zhao
Abstract: Recent advances in large language model (LLM) pruning have shown state-of-the-art compression results in post-training and retraining-free settings while maintaining high predictive performance. However, such research mainly considers calibrating pruning using English text, despite the multilingual nature of modern LLMs and their frequent uses in non-English languages. In this paper, we set out to explore effective strategies for calibrating the pruning of multilingual language models. We present the first comprehensive empirical study, comparing different calibration languages for pruning multilingual models across diverse tasks, models, and state-of-the-art pruning techniques. Our results present practical suggestions, for example, calibrating in the target language can efficiently yield lower perplexity, but does not necessarily benefit downstream tasks. Our further analysis experiments unveil that calibration in the target language mainly contributes to preserving language-specific features related to fluency and coherence, but might not contribute to capturing language-agnostic features such as language understanding and reasoning. Last, we provide practical recommendations for future practitioners.
Authors: Xinyang Hu, Fengzhuo Zhang, Siyu Chen, Zhuoran Yang
Abstract: Chain-of-Thought (CoT) prompting and its variants have gained popularity as effective methods for solving multi-step reasoning problems using pretrained large language models (LLMs). In this work, we analyze CoT prompting from a statistical estimation perspective, providing a comprehensive characterization of its sample complexity. To this end, we introduce a multi-step latent variable model that encapsulates the reasoning process, where the latent variable encodes the task information. Under this framework, we demonstrate that when the pretraining dataset is sufficiently large, the estimator formed by CoT prompting is equivalent to a Bayesian estimator. This estimator effectively solves the multi-step reasoning problem by aggregating a posterior distribution inferred from the demonstration examples in the prompt. Moreover, we prove that the statistical error of the CoT estimator can be decomposed into two main components: (i) a prompting error, which arises from inferring the true task using CoT prompts, and (ii) the statistical error of the pretrained LLM. We establish that, under appropriate assumptions, the prompting error decays exponentially to zero as the number of demonstrations increases. Additionally, we explicitly characterize the approximation and generalization errors of the pretrained LLM. Notably, we construct a transformer model that approximates the target distribution of the multi-step reasoning problem with an error that decreases exponentially in the number of transformer blocks. Our analysis extends to other variants of CoT, including Self-Consistent CoT, Tree-of-Thought, and Selection-Inference, offering a broad perspective on the efficacy of these methods. We also provide numerical experiments to validate the theoretical findings.
Authors: Henrik Krauss, Tim-Lukas Habich, Max Bartholdt, Thomas Seel, Moritz Schappler
Abstract: Physics-informed neural networks (PINNs) are trained using physical equations and can also incorporate unmodeled effects by learning from data. PINNs for control (PINCs) of dynamical systems are gaining interest due to their prediction speed compared to classical numerical integration methods for nonlinear state-space models, making them suitable for real-time control applications. We introduce the domain-decoupled physics-informed neural network (DD-PINN) to address current limitations of PINC in handling large and complex nonlinear dynamical systems. The time domain is decoupled from the feed-forward neural network to construct an Ansatz function, allowing for calculation of gradients in closed form. This approach significantly reduces training times, especially for large dynamical systems, compared to PINC, which relies on graph-based automatic differentiation. Additionally, the DD-PINN inherently fulfills the initial condition and supports higher-order excitation inputs, simplifying the training process and enabling improved prediction accuracy. Validation on three systems - a nonlinear mass-spring-damper, a five-mass-chain, and a two-link robot - demonstrates that the DD-PINN achieves significantly shorter training times. In cases where the PINC's prediction diverges, the DD-PINN's prediction remains stable and accurate due to higher physics loss reduction or use of a higher-order excitation input. The DD-PINN allows for fast and accurate learning of large dynamical systems previously out of reach for the PINC.