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Mar 13

Neural Speech Synthesis with Transformer Network

Although end-to-end neural text-to-speech (TTS) methods (such as Tacotron2) are proposed and achieve state-of-the-art performance, they still suffer from two problems: 1) low efficiency during training and inference; 2) hard to model long dependency using current recurrent neural networks (RNNs). Inspired by the success of Transformer network in neural machine translation (NMT), in this paper, we introduce and adapt the multi-head attention mechanism to replace the RNN structures and also the original attention mechanism in Tacotron2. With the help of multi-head self-attention, the hidden states in the encoder and decoder are constructed in parallel, which improves the training efficiency. Meanwhile, any two inputs at different times are connected directly by self-attention mechanism, which solves the long range dependency problem effectively. Using phoneme sequences as input, our Transformer TTS network generates mel spectrograms, followed by a WaveNet vocoder to output the final audio results. Experiments are conducted to test the efficiency and performance of our new network. For the efficiency, our Transformer TTS network can speed up the training about 4.25 times faster compared with Tacotron2. For the performance, rigorous human tests show that our proposed model achieves state-of-the-art performance (outperforms Tacotron2 with a gap of 0.048) and is very close to human quality (4.39 vs 4.44 in MOS).

Mamba: Linear-Time Sequence Modeling with Selective State Spaces

Foundation models, now powering most of the exciting applications in deep learning, are almost universally based on the Transformer architecture and its core attention module. Many subquadratic-time architectures such as linear attention, gated convolution and recurrent models, and structured state space models (SSMs) have been developed to address Transformers' computational inefficiency on long sequences, but they have not performed as well as attention on important modalities such as language. We identify that a key weakness of such models is their inability to perform content-based reasoning, and make several improvements. First, simply letting the SSM parameters be functions of the input addresses their weakness with discrete modalities, allowing the model to selectively propagate or forget information along the sequence length dimension depending on the current token. Second, even though this change prevents the use of efficient convolutions, we design a hardware-aware parallel algorithm in recurrent mode. We integrate these selective SSMs into a simplified end-to-end neural network architecture without attention or even MLP blocks (Mamba). Mamba enjoys fast inference (5times higher throughput than Transformers) and linear scaling in sequence length, and its performance improves on real data up to million-length sequences. As a general sequence model backbone, Mamba achieves state-of-the-art performance across several modalities such as language, audio, and genomics. On language modeling, our Mamba-3B model outperforms Transformers of the same size and matches Transformers twice its size, both in pretraining and downstream evaluation.

An End-to-End Trainable Neural Network for Image-based Sequence Recognition and Its Application to Scene Text Recognition

Image-based sequence recognition has been a long-standing research topic in computer vision. In this paper, we investigate the problem of scene text recognition, which is among the most important and challenging tasks in image-based sequence recognition. A novel neural network architecture, which integrates feature extraction, sequence modeling and transcription into a unified framework, is proposed. Compared with previous systems for scene text recognition, the proposed architecture possesses four distinctive properties: (1) It is end-to-end trainable, in contrast to most of the existing algorithms whose components are separately trained and tuned. (2) It naturally handles sequences in arbitrary lengths, involving no character segmentation or horizontal scale normalization. (3) It is not confined to any predefined lexicon and achieves remarkable performances in both lexicon-free and lexicon-based scene text recognition tasks. (4) It generates an effective yet much smaller model, which is more practical for real-world application scenarios. The experiments on standard benchmarks, including the IIIT-5K, Street View Text and ICDAR datasets, demonstrate the superiority of the proposed algorithm over the prior arts. Moreover, the proposed algorithm performs well in the task of image-based music score recognition, which evidently verifies the generality of it.

Grounding Language Plans in Demonstrations Through Counterfactual Perturbations

Grounding the common-sense reasoning of Large Language Models in physical domains remains a pivotal yet unsolved problem for embodied AI. Whereas prior works have focused on leveraging LLMs directly for planning in symbolic spaces, this work uses LLMs to guide the search of task structures and constraints implicit in multi-step demonstrations. Specifically, we borrow from manipulation planning literature the concept of mode families, which group robot configurations by specific motion constraints, to serve as an abstraction layer between the high-level language representations of an LLM and the low-level physical trajectories of a robot. By replaying a few human demonstrations with synthetic perturbations, we generate coverage over the demonstrations' state space with additional successful executions as well as counterfactuals that fail the task. Our explanation-based learning framework trains an end-to-end differentiable neural network to predict successful trajectories from failures and as a by-product learns classifiers that ground low-level states and images in mode families without dense labeling. The learned grounding classifiers can further be used to translate language plans into reactive policies in the physical domain in an interpretable manner. We show our approach improves the interpretability and reactivity of imitation learning through 2D navigation and simulated and real robot manipulation tasks. Website: https://sites.google.com/view/grounding-plans

Model-Based Image Signal Processors via Learnable Dictionaries

Digital cameras transform sensor RAW readings into RGB images by means of their Image Signal Processor (ISP). Computational photography tasks such as image denoising and colour constancy are commonly performed in the RAW domain, in part due to the inherent hardware design, but also due to the appealing simplicity of noise statistics that result from the direct sensor readings. Despite this, the availability of RAW images is limited in comparison with the abundance and diversity of available RGB data. Recent approaches have attempted to bridge this gap by estimating the RGB to RAW mapping: handcrafted model-based methods that are interpretable and controllable usually require manual parameter fine-tuning, while end-to-end learnable neural networks require large amounts of training data, at times with complex training procedures, and generally lack interpretability and parametric control. Towards addressing these existing limitations, we present a novel hybrid model-based and data-driven ISP that builds on canonical ISP operations and is both learnable and interpretable. Our proposed invertible model, capable of bidirectional mapping between RAW and RGB domains, employs end-to-end learning of rich parameter representations, i.e. dictionaries, that are free from direct parametric supervision and additionally enable simple and plausible data augmentation. We evidence the value of our data generation process by extensive experiments under both RAW image reconstruction and RAW image denoising tasks, obtaining state-of-the-art performance in both. Additionally, we show that our ISP can learn meaningful mappings from few data samples, and that denoising models trained with our dictionary-based data augmentation are competitive despite having only few or zero ground-truth labels.

End-to-End Complex-Valued Multidilated Convolutional Neural Network for Joint Acoustic Echo Cancellation and Noise Suppression

Echo and noise suppression is an integral part of a full-duplex communication system. Many recent acoustic echo cancellation (AEC) systems rely on a separate adaptive filtering module for linear echo suppression and a neural module for residual echo suppression. However, not only do adaptive filtering modules require convergence and remain susceptible to changes in acoustic environments, but this two-stage framework also often introduces unnecessary delays to the AEC system when neural modules are already capable of both linear and nonlinear echo suppression. In this paper, we exploit the offset-compensating ability of complex time-frequency masks and propose an end-to-end complex-valued neural network architecture. The building block of the proposed model is a pseudocomplex extension based on the densely-connected multidilated DenseNet (D3Net) building block, resulting in a very small network of only 354K parameters. The architecture utilized the multi-resolution nature of the D3Net building blocks to eliminate the need for pooling, allowing the network to extract features using large receptive fields without any loss of output resolution. We also propose a dual-mask technique for joint echo and noise suppression with simultaneous speech enhancement. Evaluation on both synthetic and real test sets demonstrated promising results across multiple energy-based metrics and perceptual proxies.

End-to-end Conversation Modeling Track in DSTC6

End-to-end training of neural networks is a promising approach to automatic construction of dialog systems using a human-to-human dialog corpus. Recently, Vinyals et al. tested neural conversation models using OpenSubtitles. Lowe et al. released the Ubuntu Dialogue Corpus for researching unstructured multi-turn dialogue systems. Furthermore, the approach has been extended to accomplish task oriented dialogs to provide information properly with natural conversation. For example, Ghazvininejad et al. proposed a knowledge grounded neural conversation model [3], where the research is aiming at combining conversational dialogs with task-oriented knowledge using unstructured data such as Twitter data for conversation and Foursquare data for external knowledge.However, the task is still limited to a restaurant information service, and has not yet been tested with a wide variety of dialog tasks. In addition, it is still unclear how to create intelligent dialog systems that can respond like a human agent. In consideration of these problems, we proposed a challenge track to the 6th dialog system technology challenges (DSTC6) using human-to-human dialog data to mimic human dialog behaviors. The focus of the challenge track is to train end-to-end conversation models from human-to-human conversation and accomplish end-to-end dialog tasks in various situations assuming a customer service, in which a system plays a role of human agent and generates natural and informative sentences in response to user's questions or comments given dialog context.

ML-SIM: A deep neural network for reconstruction of structured illumination microscopy images

Structured illumination microscopy (SIM) has become an important technique for optical super-resolution imaging because it allows a doubling of image resolution at speeds compatible for live-cell imaging. However, the reconstruction of SIM images is often slow and prone to artefacts. Here we propose a versatile reconstruction method, ML-SIM, which makes use of machine learning. The model is an end-to-end deep residual neural network that is trained on a simulated data set to be free of common SIM artefacts. ML-SIM is thus robust to noise and irregularities in the illumination patterns of the raw SIM input frames. The reconstruction method is widely applicable and does not require the acquisition of experimental training data. Since the training data are generated from simulations of the SIM process on images from generic libraries the method can be efficiently adapted to specific experimental SIM implementations. The reconstruction quality enabled by our method is compared with traditional SIM reconstruction methods, and we demonstrate advantages in terms of noise, reconstruction fidelity and contrast for both simulated and experimental inputs. In addition, reconstruction of one SIM frame typically only takes ~100ms to perform on PCs with modern Nvidia graphics cards, making the technique compatible with real-time imaging. The full implementation and the trained networks are available at http://ML-SIM.com.

Multi-hop Question Answering via Reasoning Chains

Multi-hop question answering requires models to gather information from different parts of a text to answer a question. Most current approaches learn to address this task in an end-to-end way with neural networks, without maintaining an explicit representation of the reasoning process. We propose a method to extract a discrete reasoning chain over the text, which consists of a series of sentences leading to the answer. We then feed the extracted chains to a BERT-based QA model to do final answer prediction. Critically, we do not rely on gold annotated chains or "supporting facts:" at training time, we derive pseudogold reasoning chains using heuristics based on named entity recognition and coreference resolution. Nor do we rely on these annotations at test time, as our model learns to extract chains from raw text alone. We test our approach on two recently proposed large multi-hop question answering datasets: WikiHop and HotpotQA, and achieve state-of-art performance on WikiHop and strong performance on HotpotQA. Our analysis shows the properties of chains that are crucial for high performance: in particular, modeling extraction sequentially is important, as is dealing with each candidate sentence in a context-aware way. Furthermore, human evaluation shows that our extracted chains allow humans to give answers with high confidence, indicating that these are a strong intermediate abstraction for this task.

PIGEON: Optimizing CUDA Code Generator for End-to-End Training and Inference of Relational Graph Neural Networks

Relational graph neural networks (RGNNs) are graph neural networks (GNNs) with dedicated structures for modeling the different types of nodes and/or edges in heterogeneous graphs. While RGNNs have been increasingly adopted in many real-world applications due to their versatility and accuracy, they pose performance and system design challenges due to their inherent computation patterns, gap between the programming interface and kernel APIs, and heavy programming efforts in optimizing kernels caused by their coupling with data layout and heterogeneity. To systematically address these challenges, we propose Pigeon, a novel two-level intermediate representation (IR) and its code generator framework, that (a) represents the key properties of the RGNN models to bridge the gap between the programming interface and kernel APIs, (b) decouples model semantics, data layout, and operators-specific optimization from each other to reduce programming efforts, (c) expresses and leverages optimization opportunities in inter-operator transforms, data layout, and operator-specific schedules. By building on one general matrix multiply (GEMM) template and a node/edge traversal template, Pigeon achieves up to 7.8x speed-up in inference and 5.6x speed-up in training compared with the state-of-the-art public systems in select models, i.e., RGCN, RGAT, HGT, when running heterogeneous graphs provided by Deep Graph Library (DGL) and Open Graph Benchmark (OGB). Pigeon also triggers fewer out-of-memory (OOM) errors. In addition, we propose linear operator fusion and compact materialization to further accelerate the system by up to 2.2x.

Generalizable End-to-End Deep Learning Frameworks for Real-Time Attitude Estimation Using 6DoF Inertial Measurement Units

This paper presents a novel end-to-end deep learning framework for real-time inertial attitude estimation using 6DoF IMU measurements. Inertial Measurement Units are widely used in various applications, including engineering and medical sciences. However, traditional filters used for attitude estimation suffer from poor generalization over different motion patterns and environmental disturbances. To address this problem, we propose two deep learning models that incorporate accelerometer and gyroscope readings as inputs. These models are designed to be generalized to different motion patterns, sampling rates, and environmental disturbances. Our models consist of convolutional neural network layers combined with Bi-Directional Long-Short Term Memory followed by a Fully Forward Neural Network to estimate the quaternion. We evaluate the proposed method on seven publicly available datasets, totaling more than 120 hours and 200 kilometers of IMU measurements. Our results show that the proposed method outperforms state-of-the-art methods in terms of accuracy and robustness. Additionally, our framework demonstrates superior generalization over various motion characteristics and sensor sampling rates. Overall, this paper provides a comprehensive and reliable solution for real-time inertial attitude estimation using 6DoF IMUs, which has significant implications for a wide range of applications.

Galactic: Scaling End-to-End Reinforcement Learning for Rearrangement at 100k Steps-Per-Second

We present Galactic, a large-scale simulation and reinforcement-learning (RL) framework for robotic mobile manipulation in indoor environments. Specifically, a Fetch robot (equipped with a mobile base, 7DoF arm, RGBD camera, egomotion, and onboard sensing) is spawned in a home environment and asked to rearrange objects - by navigating to an object, picking it up, navigating to a target location, and then placing the object at the target location. Galactic is fast. In terms of simulation speed (rendering + physics), Galactic achieves over 421,000 steps-per-second (SPS) on an 8-GPU node, which is 54x faster than Habitat 2.0 (7699 SPS). More importantly, Galactic was designed to optimize the entire rendering + physics + RL interplay since any bottleneck in the interplay slows down training. In terms of simulation+RL speed (rendering + physics + inference + learning), Galactic achieves over 108,000 SPS, which 88x faster than Habitat 2.0 (1243 SPS). These massive speed-ups not only drastically cut the wall-clock training time of existing experiments, but also unlock an unprecedented scale of new experiments. First, Galactic can train a mobile pick skill to >80% accuracy in under 16 minutes, a 100x speedup compared to the over 24 hours it takes to train the same skill in Habitat 2.0. Second, we use Galactic to perform the largest-scale experiment to date for rearrangement using 5B steps of experience in 46 hours, which is equivalent to 20 years of robot experience. This scaling results in a single neural network composed of task-agnostic components achieving 85% success in GeometricGoal rearrangement, compared to 0% success reported in Habitat 2.0 for the same approach. The code is available at github.com/facebookresearch/galactic.

ArtBrain: An Explainable end-to-end Toolkit for Classification and Attribution of AI-Generated Art and Style

Recently, the quality of artworks generated using Artificial Intelligence (AI) has increased significantly, resulting in growing difficulties in detecting synthetic artworks. However, limited studies have been conducted on identifying the authenticity of synthetic artworks and their source. This paper introduces AI-ArtBench, a dataset featuring 185,015 artistic images across 10 art styles. It includes 125,015 AI-generated images and 60,000 pieces of human-created artwork. This paper also outlines a method to accurately detect AI-generated images and trace them to their source model. This work proposes a novel Convolutional Neural Network model based on the ConvNeXt model called AttentionConvNeXt. AttentionConvNeXt was implemented and trained to differentiate between the source of the artwork and its style with an F1-Score of 0.869. The accuracy of attribution to the generative model reaches 0.999. To combine the scientific contributions arising from this study, a web-based application named ArtBrain was developed to enable both technical and non-technical users to interact with the model. Finally, this study presents the results of an Artistic Turing Test conducted with 50 participants. The findings reveal that humans could identify AI-generated images with an accuracy of approximately 58%, while the model itself achieved a significantly higher accuracy of around 99%.

VMFormer: End-to-End Video Matting with Transformer

Video matting aims to predict the alpha mattes for each frame from a given input video sequence. Recent solutions to video matting have been dominated by deep convolutional neural networks (CNN) for the past few years, which have become the de-facto standard for both academia and industry. However, they have inbuilt inductive bias of locality and do not capture global characteristics of an image due to the CNN-based architectures. They also lack long-range temporal modeling considering computational costs when dealing with feature maps of multiple frames. In this paper, we propose VMFormer: a transformer-based end-to-end method for video matting. It makes predictions on alpha mattes of each frame from learnable queries given a video input sequence. Specifically, it leverages self-attention layers to build global integration of feature sequences with short-range temporal modeling on successive frames. We further apply queries to learn global representations through cross-attention in the transformer decoder with long-range temporal modeling upon all queries. In the prediction stage, both queries and corresponding feature maps are used to make the final prediction of alpha matte. Experiments show that VMFormer outperforms previous CNN-based video matting methods on the composited benchmarks. To our best knowledge, it is the first end-to-end video matting solution built upon a full vision transformer with predictions on the learnable queries. The project is open-sourced at https://chrisjuniorli.github.io/project/VMFormer/

Sequence to Sequence Learning with Neural Networks

Deep Neural Networks (DNNs) are powerful models that have achieved excellent performance on difficult learning tasks. Although DNNs work well whenever large labeled training sets are available, they cannot be used to map sequences to sequences. In this paper, we present a general end-to-end approach to sequence learning that makes minimal assumptions on the sequence structure. Our method uses a multilayered Long Short-Term Memory (LSTM) to map the input sequence to a vector of a fixed dimensionality, and then another deep LSTM to decode the target sequence from the vector. Our main result is that on an English to French translation task from the WMT'14 dataset, the translations produced by the LSTM achieve a BLEU score of 34.8 on the entire test set, where the LSTM's BLEU score was penalized on out-of-vocabulary words. Additionally, the LSTM did not have difficulty on long sentences. For comparison, a phrase-based SMT system achieves a BLEU score of 33.3 on the same dataset. When we used the LSTM to rerank the 1000 hypotheses produced by the aforementioned SMT system, its BLEU score increases to 36.5, which is close to the previous best result on this task. The LSTM also learned sensible phrase and sentence representations that are sensitive to word order and are relatively invariant to the active and the passive voice. Finally, we found that reversing the order of the words in all source sentences (but not target sentences) improved the LSTM's performance markedly, because doing so introduced many short term dependencies between the source and the target sentence which made the optimization problem easier.

An End-to-End Reinforcement Learning Approach for Job-Shop Scheduling Problems Based on Constraint Programming

Constraint Programming (CP) is a declarative programming paradigm that allows for modeling and solving combinatorial optimization problems, such as the Job-Shop Scheduling Problem (JSSP). While CP solvers manage to find optimal or near-optimal solutions for small instances, they do not scale well to large ones, i.e., they require long computation times or yield low-quality solutions. Therefore, real-world scheduling applications often resort to fast, handcrafted, priority-based dispatching heuristics to find a good initial solution and then refine it using optimization methods. This paper proposes a novel end-to-end approach to solving scheduling problems by means of CP and Reinforcement Learning (RL). In contrast to previous RL methods, tailored for a given problem by including procedural simulation algorithms, complex feature engineering, or handcrafted reward functions, our neural-network architecture and training algorithm merely require a generic CP encoding of some scheduling problem along with a set of small instances. Our approach leverages existing CP solvers to train an agent learning a Priority Dispatching Rule (PDR) that generalizes well to large instances, even from separate datasets. We evaluate our method on seven JSSP datasets from the literature, showing its ability to find higher-quality solutions for very large instances than obtained by static PDRs and by a CP solver within the same time limit.

OkwuGbé: End-to-End Speech Recognition for Fon and Igbo

Language is inherent and compulsory for human communication. Whether expressed in a written or spoken way, it ensures understanding between people of the same and different regions. With the growing awareness and effort to include more low-resourced languages in NLP research, African languages have recently been a major subject of research in machine translation, and other text-based areas of NLP. However, there is still very little comparable research in speech recognition for African languages. Interestingly, some of the unique properties of African languages affecting NLP, like their diacritical and tonal complexities, have a major root in their speech, suggesting that careful speech interpretation could provide more intuition on how to deal with the linguistic complexities of African languages for text-based NLP. OkwuGb\'e is a step towards building speech recognition systems for African low-resourced languages. Using Fon and Igbo as our case study, we conduct a comprehensive linguistic analysis of each language and describe the creation of end-to-end, deep neural network-based speech recognition models for both languages. We present a state-of-art ASR model for Fon, as well as benchmark ASR model results for Igbo. Our linguistic analyses (for Fon and Igbo) provide valuable insights and guidance into the creation of speech recognition models for other African low-resourced languages, as well as guide future NLP research for Fon and Igbo. The Fon and Igbo models source code have been made publicly available.

Large Spatial Model: End-to-end Unposed Images to Semantic 3D

Reconstructing and understanding 3D structures from a limited number of images is a well-established problem in computer vision. Traditional methods usually break this task into multiple subtasks, each requiring complex transformations between different data representations. For instance, dense reconstruction through Structure-from-Motion (SfM) involves converting images into key points, optimizing camera parameters, and estimating structures. Afterward, accurate sparse reconstructions are required for further dense modeling, which is subsequently fed into task-specific neural networks. This multi-step process results in considerable processing time and increased engineering complexity. In this work, we present the Large Spatial Model (LSM), which processes unposed RGB images directly into semantic radiance fields. LSM simultaneously estimates geometry, appearance, and semantics in a single feed-forward operation, and it can generate versatile label maps by interacting with language at novel viewpoints. Leveraging a Transformer-based architecture, LSM integrates global geometry through pixel-aligned point maps. To enhance spatial attribute regression, we incorporate local context aggregation with multi-scale fusion, improving the accuracy of fine local details. To tackle the scarcity of labeled 3D semantic data and enable natural language-driven scene manipulation, we incorporate a pre-trained 2D language-based segmentation model into a 3D-consistent semantic feature field. An efficient decoder then parameterizes a set of semantic anisotropic Gaussians, facilitating supervised end-to-end learning. Extensive experiments across various tasks show that LSM unifies multiple 3D vision tasks directly from unposed images, achieving real-time semantic 3D reconstruction for the first time.

CascadeTabNet: An approach for end to end table detection and structure recognition from image-based documents

An automatic table recognition method for interpretation of tabular data in document images majorly involves solving two problems of table detection and table structure recognition. The prior work involved solving both problems independently using two separate approaches. More recent works signify the use of deep learning-based solutions while also attempting to design an end to end solution. In this paper, we present an improved deep learning-based end to end approach for solving both problems of table detection and structure recognition using a single Convolution Neural Network (CNN) model. We propose CascadeTabNet: a Cascade mask Region-based CNN High-Resolution Network (Cascade mask R-CNN HRNet) based model that detects the regions of tables and recognizes the structural body cells from the detected tables at the same time. We evaluate our results on ICDAR 2013, ICDAR 2019 and TableBank public datasets. We achieved 3rd rank in ICDAR 2019 post-competition results for table detection while attaining the best accuracy results for the ICDAR 2013 and TableBank dataset. We also attain the highest accuracy results on the ICDAR 2019 table structure recognition dataset. Additionally, we demonstrate effective transfer learning and image augmentation techniques that enable CNNs to achieve very accurate table detection results. Code and dataset has been made available at: https://github.com/DevashishPrasad/CascadeTabNet

TicketTalk: Toward human-level performance with end-to-end, transaction-based dialog systems

We present a data-driven, end-to-end approach to transaction-based dialog systems that performs at near-human levels in terms of verbal response quality and factual grounding accuracy. We show that two essential components of the system produce these results: a sufficiently large and diverse, in-domain labeled dataset, and a neural network-based, pre-trained model that generates both verbal responses and API call predictions. In terms of data, we introduce TicketTalk, a movie ticketing dialog dataset with 23,789 annotated conversations. The movie ticketing conversations range from completely open-ended and unrestricted to more structured, both in terms of their knowledge base, discourse features, and number of turns. In qualitative human evaluations, model-generated responses trained on just 10,000 TicketTalk dialogs were rated to "make sense" 86.5 percent of the time, almost the same as human responses in the same contexts. Our simple, API-focused annotation schema results in a much easier labeling task making it faster and more cost effective. It is also the key component for being able to predict API calls accurately. We handle factual grounding by incorporating API calls in the training data, allowing our model to learn which actions to take and when. Trained on the same 10,000-dialog set, the model's API call predictions were rated to be correct 93.9 percent of the time in our evaluations, surpassing the ratings for the corresponding human labels. We show how API prediction and response generation scores improve as the dataset size incrementally increases from 5000 to 21,000 dialogs. Our analysis also clearly illustrates the benefits of pre-training. We are publicly releasing the TicketTalk dataset with this paper to facilitate future work on transaction-based dialogs.

A multi-path 2.5 dimensional convolutional neural network system for segmenting stroke lesions in brain MRI images

Automatic identification of brain lesions from magnetic resonance imaging (MRI) scans of stroke survivors would be a useful aid in patient diagnosis and treatment planning. We propose a multi-modal multi-path convolutional neural network system for automating stroke lesion segmentation. Our system has nine end-to-end UNets that take as input 2-dimensional (2D) slices and examines all three planes with three different normalizations. Outputs from these nine total paths are concatenated into a 3D volume that is then passed to a 3D convolutional neural network to output a final lesion mask. We trained and tested our method on datasets from three sources: Medical College of Wisconsin (MCW), Kessler Foundation (KF), and the publicly available Anatomical Tracings of Lesions After Stroke (ATLAS) dataset. Cross-study validation results (with independent training and validation datasets) were obtained to compare with previous methods based on naive Bayes, random forests, and three recently published convolutional neural networks. Model performance was quantified in terms of the Dice coefficient. Training on the KF and MCW images and testing on the ATLAS images yielded a mean Dice coefficient of 0.54. This was reliably better than the next best previous model, UNet, at 0.47. Reversing the train and test datasets yields a mean Dice of 0.47 on KF and MCW images, whereas the next best UNet reaches 0.45. With all three datasets combined, the current system compared to previous methods also attained a reliably higher cross-validation accuracy. It also achieved high Dice values for many smaller lesions that existing methods have difficulty identifying. Overall, our system is a clear improvement over previous methods for automating stroke lesion segmentation, bringing us an important step closer to the inter-rater accuracy level of human experts.

ULSAM: Ultra-Lightweight Subspace Attention Module for Compact Convolutional Neural Networks

The capability of the self-attention mechanism to model the long-range dependencies has catapulted its deployment in vision models. Unlike convolution operators, self-attention offers infinite receptive field and enables compute-efficient modeling of global dependencies. However, the existing state-of-the-art attention mechanisms incur high compute and/or parameter overheads, and hence unfit for compact convolutional neural networks (CNNs). In this work, we propose a simple yet effective "Ultra-Lightweight Subspace Attention Mechanism" (ULSAM), which infers different attention maps for each feature map subspace. We argue that leaning separate attention maps for each feature subspace enables multi-scale and multi-frequency feature representation, which is more desirable for fine-grained image classification. Our method of subspace attention is orthogonal and complementary to the existing state-of-the-arts attention mechanisms used in vision models. ULSAM is end-to-end trainable and can be deployed as a plug-and-play module in the pre-existing compact CNNs. Notably, our work is the first attempt that uses a subspace attention mechanism to increase the efficiency of compact CNNs. To show the efficacy of ULSAM, we perform experiments with MobileNet-V1 and MobileNet-V2 as backbone architectures on ImageNet-1K and three fine-grained image classification datasets. We achieve approx13% and approx25% reduction in both the FLOPs and parameter counts of MobileNet-V2 with a 0.27% and more than 1% improvement in top-1 accuracy on the ImageNet-1K and fine-grained image classification datasets (respectively). Code and trained models are available at https://github.com/Nandan91/ULSAM.

Safety Verification of Deep Neural Networks

Deep neural networks have achieved impressive experimental results in image classification, but can surprisingly be unstable with respect to adversarial perturbations, that is, minimal changes to the input image that cause the network to misclassify it. With potential applications including perception modules and end-to-end controllers for self-driving cars, this raises concerns about their safety. We develop a novel automated verification framework for feed-forward multi-layer neural networks based on Satisfiability Modulo Theory (SMT). We focus on safety of image classification decisions with respect to image manipulations, such as scratches or changes to camera angle or lighting conditions that would result in the same class being assigned by a human, and define safety for an individual decision in terms of invariance of the classification within a small neighbourhood of the original image. We enable exhaustive search of the region by employing discretisation, and propagate the analysis layer by layer. Our method works directly with the network code and, in contrast to existing methods, can guarantee that adversarial examples, if they exist, are found for the given region and family of manipulations. If found, adversarial examples can be shown to human testers and/or used to fine-tune the network. We implement the techniques using Z3 and evaluate them on state-of-the-art networks, including regularised and deep learning networks. We also compare against existing techniques to search for adversarial examples and estimate network robustness.

PyTorch-Direct: Enabling GPU Centric Data Access for Very Large Graph Neural Network Training with Irregular Accesses

With the increasing adoption of graph neural networks (GNNs) in the machine learning community, GPUs have become an essential tool to accelerate GNN training. However, training GNNs on very large graphs that do not fit in GPU memory is still a challenging task. Unlike conventional neural networks, mini-batching input samples in GNNs requires complicated tasks such as traversing neighboring nodes and gathering their feature values. While this process accounts for a significant portion of the training time, we find existing GNN implementations using popular deep neural network (DNN) libraries such as PyTorch are limited to a CPU-centric approach for the entire data preparation step. This "all-in-CPU" approach has negative impact on the overall GNN training performance as it over-utilizes CPU resources and hinders GPU acceleration of GNN training. To overcome such limitations, we introduce PyTorch-Direct, which enables a GPU-centric data accessing paradigm for GNN training. In PyTorch-Direct, GPUs are capable of efficiently accessing complicated data structures in host memory directly without CPU intervention. Our microbenchmark and end-to-end GNN training results show that PyTorch-Direct reduces data transfer time by 47.1% on average and speeds up GNN training by up to 1.6x. Furthermore, by reducing CPU utilization, PyTorch-Direct also saves system power by 12.4% to 17.5% during training. To minimize programmer effort, we introduce a new "unified tensor" type along with necessary changes to the PyTorch memory allocator, dispatch logic, and placement rules. As a result, users need to change at most two lines of their PyTorch GNN training code for each tensor object to take advantage of PyTorch-Direct.

Encoder-Decoder Based Convolutional Neural Networks with Multi-Scale-Aware Modules for Crowd Counting

In this paper, we propose two modified neural networks based on dual path multi-scale fusion networks (SFANet) and SegNet for accurate and efficient crowd counting. Inspired by SFANet, the first model, which is named M-SFANet, is attached with atrous spatial pyramid pooling (ASPP) and context-aware module (CAN). The encoder of M-SFANet is enhanced with ASPP containing parallel atrous convolutional layers with different sampling rates and hence able to extract multi-scale features of the target object and incorporate larger context. To further deal with scale variation throughout an input image, we leverage the CAN module which adaptively encodes the scales of the contextual information. The combination yields an effective model for counting in both dense and sparse crowd scenes. Based on the SFANet decoder structure, M-SFANet's decoder has dual paths, for density map and attention map generation. The second model is called M-SegNet, which is produced by replacing the bilinear upsampling in SFANet with max unpooling that is used in SegNet. This change provides a faster model while providing competitive counting performance. Designed for high-speed surveillance applications, M-SegNet has no additional multi-scale-aware module in order to not increase the complexity. Both models are encoder-decoder based architectures and are end-to-end trainable. We conduct extensive experiments on five crowd counting datasets and one vehicle counting dataset to show that these modifications yield algorithms that could improve state-of-the-art crowd counting methods. Codes are available at https://github.com/Pongpisit-Thanasutives/Variations-of-SFANet-for-Crowd-Counting.

Weakly Supervised Deep Recurrent Neural Networks for Basic Dance Step Generation

Synthesizing human's movements such as dancing is a flourishing research field which has several applications in computer graphics. Recent studies have demonstrated the advantages of deep neural networks (DNNs) for achieving remarkable performance in motion and music tasks with little effort for feature pre-processing. However, applying DNNs for generating dance to a piece of music is nevertheless challenging, because of 1) DNNs need to generate large sequences while mapping the music input, 2) the DNN needs to constraint the motion beat to the music, and 3) DNNs require a considerable amount of hand-crafted data. In this study, we propose a weakly supervised deep recurrent method for real-time basic dance generation with audio power spectrum as input. The proposed model employs convolutional layers and a multilayered Long Short-Term memory (LSTM) to process the audio input. Then, another deep LSTM layer decodes the target dance sequence. Notably, this end-to-end approach has 1) an auto-conditioned decode configuration that reduces accumulation of feedback error of large dance sequence, 2) uses a contrastive cost function to regulate the mapping between the music and motion beat, and 3) trains with weak labels generated from the motion beat, reducing the amount of hand-crafted data. We evaluate the proposed network based on i) the similarities between generated and the baseline dancer motion with a cross entropy measure for large dance sequences, and ii) accurate timing between the music and motion beat with an F-measure. Experimental results revealed that, after training using a small dataset, the model generates basic dance steps with low cross entropy and maintains an F-measure score similar to that of a baseline dancer.

Uncertainty-Aware Explanations Through Probabilistic Self-Explainable Neural Networks

The lack of transparency of Deep Neural Networks continues to be a limitation that severely undermines their reliability and usage in high-stakes applications. Promising approaches to overcome such limitations are Prototype-Based Self-Explainable Neural Networks (PSENNs), whose predictions rely on the similarity between the input at hand and a set of prototypical representations of the output classes, offering therefore a deep, yet transparent-by-design, architecture. So far, such models have been designed by considering pointwise estimates for the prototypes, which remain fixed after the learning phase of the model. In this paper, we introduce a probabilistic reformulation of PSENNs, called Prob-PSENN, which replaces point estimates for the prototypes with probability distributions over their values. This provides not only a more flexible framework for an end-to-end learning of prototypes, but can also capture the explanatory uncertainty of the model, which is a missing feature in previous approaches. In addition, since the prototypes determine both the explanation and the prediction, Prob-PSENNs allow us to detect when the model is making uninformed or uncertain predictions, and to obtain valid explanations for them. Our experiments demonstrate that Prob-PSENNs provide more meaningful and robust explanations than their non-probabilistic counterparts, thus enhancing the explainability and reliability of the models.

SpikePoint: An Efficient Point-based Spiking Neural Network for Event Cameras Action Recognition

Event cameras are bio-inspired sensors that respond to local changes in light intensity and feature low latency, high energy efficiency, and high dynamic range. Meanwhile, Spiking Neural Networks (SNNs) have gained significant attention due to their remarkable efficiency and fault tolerance. By synergistically harnessing the energy efficiency inherent in event cameras and the spike-based processing capabilities of SNNs, their integration could enable ultra-low-power application scenarios, such as action recognition tasks. However, existing approaches often entail converting asynchronous events into conventional frames, leading to additional data mapping efforts and a loss of sparsity, contradicting the design concept of SNNs and event cameras. To address this challenge, we propose SpikePoint, a novel end-to-end point-based SNN architecture. SpikePoint excels at processing sparse event cloud data, effectively extracting both global and local features through a singular-stage structure. Leveraging the surrogate training method, SpikePoint achieves high accuracy with few parameters and maintains low power consumption, specifically employing the identity mapping feature extractor on diverse datasets. SpikePoint achieves state-of-the-art (SOTA) performance on four event-based action recognition datasets using only 16 timesteps, surpassing other SNN methods. Moreover, it also achieves SOTA performance across all methods on three datasets, utilizing approximately 0.3\% of the parameters and 0.5\% of power consumption employed by artificial neural networks (ANNs). These results emphasize the significance of Point Cloud and pave the way for many ultra-low-power event-based data processing applications.

Let the Quantum Creep In: Designing Quantum Neural Network Models by Gradually Swapping Out Classical Components

Artificial Intelligence (AI), with its multiplier effect and wide applications in multiple areas, could potentially be an important application of quantum computing. Since modern AI systems are often built on neural networks, the design of quantum neural networks becomes a key challenge in integrating quantum computing into AI. To provide a more fine-grained characterisation of the impact of quantum components on the performance of neural networks, we propose a framework where classical neural network layers are gradually replaced by quantum layers that have the same type of input and output while keeping the flow of information between layers unchanged, different from most current research in quantum neural network, which favours an end-to-end quantum model. We start with a simple three-layer classical neural network without any normalisation layers or activation functions, and gradually change the classical layers to the corresponding quantum versions. We conduct numerical experiments on image classification datasets such as the MNIST, FashionMNIST and CIFAR-10 datasets to demonstrate the change of performance brought by the systematic introduction of quantum components. Through this framework, our research sheds new light on the design of future quantum neural network models where it could be more favourable to search for methods and frameworks that harness the advantages from both the classical and quantum worlds.

AutoInt: Automatic Feature Interaction Learning via Self-Attentive Neural Networks

Click-through rate (CTR) prediction, which aims to predict the probability of a user clicking on an ad or an item, is critical to many online applications such as online advertising and recommender systems. The problem is very challenging since (1) the input features (e.g., the user id, user age, item id, item category) are usually sparse and high-dimensional, and (2) an effective prediction relies on high-order combinatorial features (a.k.a. cross features), which are very time-consuming to hand-craft by domain experts and are impossible to be enumerated. Therefore, there have been efforts in finding low-dimensional representations of the sparse and high-dimensional raw features and their meaningful combinations. In this paper, we propose an effective and efficient method called the AutoInt to automatically learn the high-order feature interactions of input features. Our proposed algorithm is very general, which can be applied to both numerical and categorical input features. Specifically, we map both the numerical and categorical features into the same low-dimensional space. Afterwards, a multi-head self-attentive neural network with residual connections is proposed to explicitly model the feature interactions in the low-dimensional space. With different layers of the multi-head self-attentive neural networks, different orders of feature combinations of input features can be modeled. The whole model can be efficiently fit on large-scale raw data in an end-to-end fashion. Experimental results on four real-world datasets show that our proposed approach not only outperforms existing state-of-the-art approaches for prediction but also offers good explainability. Code is available at: https://github.com/DeepGraphLearning/RecommenderSystems.

Explanatory Learning: Beyond Empiricism in Neural Networks

We introduce Explanatory Learning (EL), a framework to let machines use existing knowledge buried in symbolic sequences -- e.g. explanations written in hieroglyphic -- by autonomously learning to interpret them. In EL, the burden of interpreting symbols is not left to humans or rigid human-coded compilers, as done in Program Synthesis. Rather, EL calls for a learned interpreter, built upon a limited collection of symbolic sequences paired with observations of several phenomena. This interpreter can be used to make predictions on a novel phenomenon given its explanation, and even to find that explanation using only a handful of observations, like human scientists do. We formulate the EL problem as a simple binary classification task, so that common end-to-end approaches aligned with the dominant empiricist view of machine learning could, in principle, solve it. To these models, we oppose Critical Rationalist Networks (CRNs), which instead embrace a rationalist view on the acquisition of knowledge. CRNs express several desired properties by construction, they are truly explainable, can adjust their processing at test-time for harder inferences, and can offer strong confidence guarantees on their predictions. As a final contribution, we introduce Odeen, a basic EL environment that simulates a small flatland-style universe full of phenomena to explain. Using Odeen as a testbed, we show how CRNs outperform empiricist end-to-end approaches of similar size and architecture (Transformers) in discovering explanations for novel phenomena.

Reduced Precision Floating-Point Optimization for Deep Neural Network On-Device Learning on MicroControllers

Enabling On-Device Learning (ODL) for Ultra-Low-Power Micro-Controller Units (MCUs) is a key step for post-deployment adaptation and fine-tuning of Deep Neural Network (DNN) models in future TinyML applications. This paper tackles this challenge by introducing a novel reduced precision optimization technique for ODL primitives on MCU-class devices, leveraging the State-of-Art advancements in RISC-V RV32 architectures with support for vectorized 16-bit floating-point (FP16) Single-Instruction Multiple-Data (SIMD) operations. Our approach for the Forward and Backward steps of the Back-Propagation training algorithm is composed of specialized shape transform operators and Matrix Multiplication (MM) kernels, accelerated with parallelization and loop unrolling. When evaluated on a single training step of a 2D Convolution layer, the SIMD-optimized FP16 primitives result up to 1.72times faster than the FP32 baseline on a RISC-V-based 8+1-core MCU. An average computing efficiency of 3.11 Multiply and Accumulate operations per clock cycle (MAC/clk) and 0.81 MAC/clk is measured for the end-to-end training tasks of a ResNet8 and a DS-CNN for Image Classification and Keyword Spotting, respectively -- requiring 17.1 ms and 6.4 ms on the target platform to compute a training step on a single sample. Overall, our approach results more than two orders of magnitude faster than existing ODL software frameworks for single-core MCUs and outperforms by 1.6 times previous FP32 parallel implementations on a Continual Learning setup.

TableSense: Spreadsheet Table Detection with Convolutional Neural Networks

Spreadsheet table detection is the task of detecting all tables on a given sheet and locating their respective ranges. Automatic table detection is a key enabling technique and an initial step in spreadsheet data intelligence. However, the detection task is challenged by the diversity of table structures and table layouts on the spreadsheet. Considering the analogy between a cell matrix as spreadsheet and a pixel matrix as image, and encouraged by the successful application of Convolutional Neural Networks (CNN) in computer vision, we have developed TableSense, a novel end-to-end framework for spreadsheet table detection. First, we devise an effective cell featurization scheme to better leverage the rich information in each cell; second, we develop an enhanced convolutional neural network model for table detection to meet the domain-specific requirement on precise table boundary detection; third, we propose an effective uncertainty metric to guide an active learning based smart sampling algorithm, which enables the efficient build-up of a training dataset with 22,176 tables on 10,220 sheets with broad coverage of diverse table structures and layouts. Our evaluation shows that TableSense is highly effective with 91.3\% recall and 86.5\% precision in EoB-2 metric, a significant improvement over both the current detection algorithm that are used in commodity spreadsheet tools and state-of-the-art convolutional neural networks in computer vision.

Mixed Precision Training of Convolutional Neural Networks using Integer Operations

The state-of-the-art (SOTA) for mixed precision training is dominated by variants of low precision floating point operations, and in particular, FP16 accumulating into FP32 Micikevicius et al. (2017). On the other hand, while a lot of research has also happened in the domain of low and mixed-precision Integer training, these works either present results for non-SOTA networks (for instance only AlexNet for ImageNet-1K), or relatively small datasets (like CIFAR-10). In this work, we train state-of-the-art visual understanding neural networks on the ImageNet-1K dataset, with Integer operations on General Purpose (GP) hardware. In particular, we focus on Integer Fused-Multiply-and-Accumulate (FMA) operations which take two pairs of INT16 operands and accumulate results into an INT32 output.We propose a shared exponent representation of tensors and develop a Dynamic Fixed Point (DFP) scheme suitable for common neural network operations. The nuances of developing an efficient integer convolution kernel is examined, including methods to handle overflow of the INT32 accumulator. We implement CNN training for ResNet-50, GoogLeNet-v1, VGG-16 and AlexNet; and these networks achieve or exceed SOTA accuracy within the same number of iterations as their FP32 counterparts without any change in hyper-parameters and with a 1.8X improvement in end-to-end training throughput. To the best of our knowledge these results represent the first INT16 training results on GP hardware for ImageNet-1K dataset using SOTA CNNs and achieve highest reported accuracy using half-precision

FastSpeech: Fast, Robust and Controllable Text to Speech

Neural network based end-to-end text to speech (TTS) has significantly improved the quality of synthesized speech. Prominent methods (e.g., Tacotron 2) usually first generate mel-spectrogram from text, and then synthesize speech from the mel-spectrogram using vocoder such as WaveNet. Compared with traditional concatenative and statistical parametric approaches, neural network based end-to-end models suffer from slow inference speed, and the synthesized speech is usually not robust (i.e., some words are skipped or repeated) and lack of controllability (voice speed or prosody control). In this work, we propose a novel feed-forward network based on Transformer to generate mel-spectrogram in parallel for TTS. Specifically, we extract attention alignments from an encoder-decoder based teacher model for phoneme duration prediction, which is used by a length regulator to expand the source phoneme sequence to match the length of the target mel-spectrogram sequence for parallel mel-spectrogram generation. Experiments on the LJSpeech dataset show that our parallel model matches autoregressive models in terms of speech quality, nearly eliminates the problem of word skipping and repeating in particularly hard cases, and can adjust voice speed smoothly. Most importantly, compared with autoregressive Transformer TTS, our model speeds up mel-spectrogram generation by 270x and the end-to-end speech synthesis by 38x. Therefore, we call our model FastSpeech.

Momentum Auxiliary Network for Supervised Local Learning

Deep neural networks conventionally employ end-to-end backpropagation for their training process, which lacks biological credibility and triggers a locking dilemma during network parameter updates, leading to significant GPU memory use. Supervised local learning, which segments the network into multiple local blocks updated by independent auxiliary networks. However, these methods cannot replace end-to-end training due to lower accuracy, as gradients only propagate within their local block, creating a lack of information exchange between blocks. To address this issue and establish information transfer across blocks, we propose a Momentum Auxiliary Network (MAN) that establishes a dynamic interaction mechanism. The MAN leverages an exponential moving average (EMA) of the parameters from adjacent local blocks to enhance information flow. This auxiliary network, updated through EMA, helps bridge the informational gap between blocks. Nevertheless, we observe that directly applying EMA parameters has certain limitations due to feature discrepancies among local blocks. To overcome this, we introduce learnable biases, further boosting performance. We have validated our method on four image classification datasets (CIFAR-10, STL-10, SVHN, ImageNet), attaining superior performance and substantial memory savings. Notably, our method can reduce GPU memory usage by more than 45\% on the ImageNet dataset compared to end-to-end training, while achieving higher performance. The Momentum Auxiliary Network thus offers a new perspective for supervised local learning. Our code is available at: https://github.com/JunhaoSu0/MAN.

Scaling Supervised Local Learning with Augmented Auxiliary Networks

Deep neural networks are typically trained using global error signals that backpropagate (BP) end-to-end, which is not only biologically implausible but also suffers from the update locking problem and requires huge memory consumption. Local learning, which updates each layer independently with a gradient-isolated auxiliary network, offers a promising alternative to address the above problems. However, existing local learning methods are confronted with a large accuracy gap with the BP counterpart, particularly for large-scale networks. This is due to the weak coupling between local layers and their subsequent network layers, as there is no gradient communication across layers. To tackle this issue, we put forward an augmented local learning method, dubbed AugLocal. AugLocal constructs each hidden layer's auxiliary network by uniformly selecting a small subset of layers from its subsequent network layers to enhance their synergy. We also propose to linearly reduce the depth of auxiliary networks as the hidden layer goes deeper, ensuring sufficient network capacity while reducing the computational cost of auxiliary networks. Our extensive experiments on four image classification datasets (i.e., CIFAR-10, SVHN, STL-10, and ImageNet) demonstrate that AugLocal can effectively scale up to tens of local layers with a comparable accuracy to BP-trained networks while reducing GPU memory usage by around 40%. The proposed AugLocal method, therefore, opens up a myriad of opportunities for training high-performance deep neural networks on resource-constrained platforms.Code is available at https://github.com/ChenxiangMA/AugLocal.

Enhancing NeRF akin to Enhancing LLMs: Generalizable NeRF Transformer with Mixture-of-View-Experts

Cross-scene generalizable NeRF models, which can directly synthesize novel views of unseen scenes, have become a new spotlight of the NeRF field. Several existing attempts rely on increasingly end-to-end "neuralized" architectures, i.e., replacing scene representation and/or rendering modules with performant neural networks such as transformers, and turning novel view synthesis into a feed-forward inference pipeline. While those feedforward "neuralized" architectures still do not fit diverse scenes well out of the box, we propose to bridge them with the powerful Mixture-of-Experts (MoE) idea from large language models (LLMs), which has demonstrated superior generalization ability by balancing between larger overall model capacity and flexible per-instance specialization. Starting from a recent generalizable NeRF architecture called GNT, we first demonstrate that MoE can be neatly plugged in to enhance the model. We further customize a shared permanent expert and a geometry-aware consistency loss to enforce cross-scene consistency and spatial smoothness respectively, which are essential for generalizable view synthesis. Our proposed model, dubbed GNT with Mixture-of-View-Experts (GNT-MOVE), has experimentally shown state-of-the-art results when transferring to unseen scenes, indicating remarkably better cross-scene generalization in both zero-shot and few-shot settings. Our codes are available at https://github.com/VITA-Group/GNT-MOVE.

Exploring Quality and Generalizability in Parameterized Neural Audio Effects

Deep neural networks have shown promise for music audio signal processing applications, often surpassing prior approaches, particularly as end-to-end models in the waveform domain. Yet results to date have tended to be constrained by low sample rates, noise, narrow domains of signal types, and/or lack of parameterized controls (i.e. "knobs"), making their suitability for professional audio engineering workflows still lacking. This work expands on prior research published on modeling nonlinear time-dependent signal processing effects associated with music production by means of a deep neural network, one which includes the ability to emulate the parameterized settings you would see on an analog piece of equipment, with the goal of eventually producing commercially viable, high quality audio, i.e. 44.1 kHz sampling rate at 16-bit resolution. The results in this paper highlight progress in modeling these effects through architecture and optimization changes, towards increasing computational efficiency, lowering signal-to-noise ratio, and extending to a larger variety of nonlinear audio effects. Toward these ends, the strategies employed involved a three-pronged approach: model speed, model accuracy, and model generalizability. Most of the presented methods provide marginal or no increase in output accuracy over the original model, with the exception of dataset manipulation. We found that limiting the audio content of the dataset, for example using datasets of just a single instrument, provided a significant improvement in model accuracy over models trained on more general datasets.

Deep Human Parsing with Active Template Regression

In this work, the human parsing task, namely decomposing a human image into semantic fashion/body regions, is formulated as an Active Template Regression (ATR) problem, where the normalized mask of each fashion/body item is expressed as the linear combination of the learned mask templates, and then morphed to a more precise mask with the active shape parameters, including position, scale and visibility of each semantic region. The mask template coefficients and the active shape parameters together can generate the human parsing results, and are thus called the structure outputs for human parsing. The deep Convolutional Neural Network (CNN) is utilized to build the end-to-end relation between the input human image and the structure outputs for human parsing. More specifically, the structure outputs are predicted by two separate networks. The first CNN network is with max-pooling, and designed to predict the template coefficients for each label mask, while the second CNN network is without max-pooling to preserve sensitivity to label mask position and accurately predict the active shape parameters. For a new image, the structure outputs of the two networks are fused to generate the probability of each label for each pixel, and super-pixel smoothing is finally used to refine the human parsing result. Comprehensive evaluations on a large dataset well demonstrate the significant superiority of the ATR framework over other state-of-the-arts for human parsing. In particular, the F1-score reaches 64.38% by our ATR framework, significantly higher than 44.76% based on the state-of-the-art algorithm.

Are we certain it's anomalous?

The progress in modelling time series and, more generally, sequences of structured data has recently revamped research in anomaly detection. The task stands for identifying abnormal behaviors in financial series, IT systems, aerospace measurements, and the medical domain, where anomaly detection may aid in isolating cases of depression and attend the elderly. Anomaly detection in time series is a complex task since anomalies are rare due to highly non-linear temporal correlations and since the definition of anomalous is sometimes subjective. Here we propose the novel use of Hyperbolic uncertainty for Anomaly Detection (HypAD). HypAD learns self-supervisedly to reconstruct the input signal. We adopt best practices from the state-of-the-art to encode the sequence by an LSTM, jointly learned with a decoder to reconstruct the signal, with the aid of GAN critics. Uncertainty is estimated end-to-end by means of a hyperbolic neural network. By using uncertainty, HypAD may assess whether it is certain about the input signal but it fails to reconstruct it because this is anomalous; or whether the reconstruction error does not necessarily imply anomaly, as the model is uncertain, e.g. a complex but regular input signal. The novel key idea is that a detectable anomaly is one where the model is certain but it predicts wrongly. HypAD outperforms the current state-of-the-art for univariate anomaly detection on established benchmarks based on data from NASA, Yahoo, Numenta, Amazon, and Twitter. It also yields state-of-the-art performance on a multivariate dataset of anomaly activities in elderly home residences, and it outperforms the baseline on SWaT. Overall, HypAD yields the lowest false alarms at the best performance rate, thanks to successfully identifying detectable anomalies.

Variationally Regularized Graph-based Representation Learning for Electronic Health Records

Electronic Health Records (EHR) are high-dimensional data with implicit connections among thousands of medical concepts. These connections, for instance, the co-occurrence of diseases and lab-disease correlations can be informative when only a subset of these variables is documented by the clinician. A feasible approach to improving the representation learning of EHR data is to associate relevant medical concepts and utilize these connections. Existing medical ontologies can be the reference for EHR structures, but they place numerous constraints on the data source. Recent progress on graph neural networks (GNN) enables end-to-end learning of topological structures for non-grid or non-sequential data. However, there are problems to be addressed on how to learn the medical graph adaptively and how to understand the effect of the medical graph on representation learning. In this paper, we propose a variationally regularized encoder-decoder graph network that achieves more robustness in graph structure learning by regularizing node representations. Our model outperforms the existing graph and non-graph based methods in various EHR predictive tasks based on both public data and real-world clinical data. Besides the improvements in empirical experiment performances, we provide an interpretation of the effect of variational regularization compared to standard graph neural network, using singular value analysis.

Trace is the New AutoDiff -- Unlocking Efficient Optimization of Computational Workflows

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

AIGS: Generating Science from AI-Powered Automated Falsification

Rapid development of artificial intelligence has drastically accelerated the development of scientific discovery. Trained with large-scale observation data, deep neural networks extract the underlying patterns in an end-to-end manner and assist human researchers with highly-precised predictions in unseen scenarios. The recent rise of Large Language Models (LLMs) and the empowered autonomous agents enable scientists to gain help through interaction in different stages of their research, including but not limited to literature review, research ideation, idea implementation, and academic writing. However, AI researchers instantiated by foundation model empowered agents with full-process autonomy are still in their infancy. In this paper, we study AI-Generated Science (AIGS), where agents independently and autonomously complete the entire research process and discover scientific laws. By revisiting the definition of scientific research, we argue that falsification is the essence of both human research process and the design of an AIGS system. Through the lens of falsification, prior systems attempting towards AI-Generated Science either lack the part in their design, or rely heavily on existing verification engines that narrow the use in specialized domains. In this work, we propose Baby-AIGS as a baby-step demonstration of a full-process AIGS system, which is a multi-agent system with agents in roles representing key research process. By introducing FalsificationAgent, which identify and then verify possible scientific discoveries, we empower the system with explicit falsification. Experiments on three tasks preliminarily show that Baby-AIGS could produce meaningful scientific discoveries, though not on par with experienced human researchers. Finally, we discuss on the limitations of current Baby-AIGS, actionable insights, and related ethical issues in detail.

FlexRound: Learnable Rounding based on Element-wise Division for Post-Training Quantization

Post-training quantization (PTQ) has been gaining popularity for the deployment of deep neural networks on resource-limited devices since unlike quantization-aware training, neither a full training dataset nor end-to-end training is required at all. As PTQ schemes based on reconstructing each layer or block output turn out to be effective to enhance quantized model performance, recent works have developed algorithms to devise and learn a new weight-rounding scheme so as to better reconstruct each layer or block output. In this work, we propose a simple yet effective new weight-rounding mechanism for PTQ, coined FlexRound, based on element-wise division instead of typical element-wise addition such that FlexRound enables jointly learning a common quantization grid size as well as a different scale for each pre-trained weight. Thanks to the reciprocal rule of derivatives induced by element-wise division, FlexRound is inherently able to exploit pre-trained weights when updating their corresponding scales, and thus, flexibly quantize pre-trained weights depending on their magnitudes. We empirically validate the efficacy of FlexRound on a wide range of models and tasks. To the best of our knowledge, our work is the first to carry out comprehensive experiments on not only image classification and natural language understanding but also natural language generation, assuming a per-tensor uniform PTQ setting. Moreover, we demonstrate, for the first time, that large language models can be efficiently quantized, with only a negligible impact on performance compared to half-precision baselines, achieved by reconstructing the output in a block-by-block manner.

Attention is All You Need? Good Embeddings with Statistics are enough:Large Scale Audio Understanding without Transformers/ Convolutions/ BERTs/ Mixers/ Attention/ RNNs or ....

This paper presents a way of doing large scale audio understanding without traditional state of the art neural architectures. Ever since the introduction of deep learning for understanding audio signals in the past decade, convolutional architectures have been able to achieve state of the art results surpassing traditional hand-crafted features. In the recent past, there has been a similar shift away from traditional convolutional and recurrent neural networks towards purely end-to-end Transformer architectures. We, in this work, explore an approach, based on Bag-of-Words model. Our approach does not have any convolutions, recurrence, attention, transformers or other approaches such as BERT. We utilize micro and macro level clustered vanilla embeddings, and use a MLP head for classification. We only use feed-forward encoder-decoder models to get the bottlenecks of spectral envelops, spectral patches and slices as well as multi-resolution spectra. A classification head (a feed-forward layer), similar to the approach in SimCLR is trained on a learned representation. Using simple codes learned on latent representations, we show how we surpass traditional convolutional neural network architectures, and come strikingly close to outperforming powerful Transformer architectures. This work hopefully would pave way for exciting advancements in the field of representation learning without massive, end-to-end neural architectures.

Gaining Insight into SARS-CoV-2 Infection and COVID-19 Severity Using Self-supervised Edge Features and Graph Neural Networks

A molecular and cellular understanding of how SARS-CoV-2 variably infects and causes severe COVID-19 remains a bottleneck in developing interventions to end the pandemic. We sought to use deep learning to study the biology of SARS-CoV-2 infection and COVID-19 severity by identifying transcriptomic patterns and cell types associated with SARS-CoV-2 infection and COVID-19 severity. To do this, we developed a new approach to generating self-supervised edge features. We propose a model that builds on Graph Attention Networks (GAT), creates edge features using self-supervised learning, and ingests these edge features via a Set Transformer. This model achieves significant improvements in predicting the disease state of individual cells, given their transcriptome. We apply our model to single-cell RNA sequencing datasets of SARS-CoV-2 infected lung organoids and bronchoalveolar lavage fluid samples of patients with COVID-19, achieving state-of-the-art performance on both datasets with our model. We then borrow from the field of explainable AI (XAI) to identify the features (genes) and cell types that discriminate bystander vs. infected cells across time and moderate vs. severe COVID-19 disease. To the best of our knowledge, this represents the first application of deep learning to identifying the molecular and cellular determinants of SARS-CoV-2 infection and COVID-19 severity using single-cell omics data.

Improving anatomical plausibility in medical image segmentation via hybrid graph neural networks: applications to chest x-ray analysis

Anatomical segmentation is a fundamental task in medical image computing, generally tackled with fully convolutional neural networks which produce dense segmentation masks. These models are often trained with loss functions such as cross-entropy or Dice, which assume pixels to be independent of each other, thus ignoring topological errors and anatomical inconsistencies. We address this limitation by moving from pixel-level to graph representations, which allow to naturally incorporate anatomical constraints by construction. To this end, we introduce HybridGNet, an encoder-decoder neural architecture that leverages standard convolutions for image feature encoding and graph convolutional neural networks (GCNNs) to decode plausible representations of anatomical structures. We also propose a novel image-to-graph skip connection layer which allows localized features to flow from standard convolutional blocks to GCNN blocks, and show that it improves segmentation accuracy. The proposed architecture is extensively evaluated in a variety of domain shift and image occlusion scenarios, and audited considering different types of demographic domain shift. Our comprehensive experimental setup compares HybridGNet with other landmark and pixel-based models for anatomical segmentation in chest x-ray images, and shows that it produces anatomically plausible results in challenging scenarios where other models tend to fail.

DeepMAD: Mathematical Architecture Design for Deep Convolutional Neural Network

The rapid advances in Vision Transformer (ViT) refresh the state-of-the-art performances in various vision tasks, overshadowing the conventional CNN-based models. This ignites a few recent striking-back research in the CNN world showing that pure CNN models can achieve as good performance as ViT models when carefully tuned. While encouraging, designing such high-performance CNN models is challenging, requiring non-trivial prior knowledge of network design. To this end, a novel framework termed Mathematical Architecture Design for Deep CNN (DeepMAD) is proposed to design high-performance CNN models in a principled way. In DeepMAD, a CNN network is modeled as an information processing system whose expressiveness and effectiveness can be analytically formulated by their structural parameters. Then a constrained mathematical programming (MP) problem is proposed to optimize these structural parameters. The MP problem can be easily solved by off-the-shelf MP solvers on CPUs with a small memory footprint. In addition, DeepMAD is a pure mathematical framework: no GPU or training data is required during network design. The superiority of DeepMAD is validated on multiple large-scale computer vision benchmark datasets. Notably on ImageNet-1k, only using conventional convolutional layers, DeepMAD achieves 0.7% and 1.5% higher top-1 accuracy than ConvNeXt and Swin on Tiny level, and 0.8% and 0.9% higher on Small level.

Stitchable Neural Networks

The public model zoo containing enormous powerful pretrained model families (e.g., ResNet/DeiT) has reached an unprecedented scope than ever, which significantly contributes to the success of deep learning. As each model family consists of pretrained models with diverse scales (e.g., DeiT-Ti/S/B), it naturally arises a fundamental question of how to efficiently assemble these readily available models in a family for dynamic accuracy-efficiency trade-offs at runtime. To this end, we present Stitchable Neural Networks (SN-Net), a novel scalable and efficient framework for model deployment. It cheaply produces numerous networks with different complexity and performance trade-offs given a family of pretrained neural networks, which we call anchors. Specifically, SN-Net splits the anchors across the blocks/layers and then stitches them together with simple stitching layers to map the activations from one anchor to another. With only a few epochs of training, SN-Net effectively interpolates between the performance of anchors with varying scales. At runtime, SN-Net can instantly adapt to dynamic resource constraints by switching the stitching positions. Extensive experiments on ImageNet classification demonstrate that SN-Net can obtain on-par or even better performance than many individually trained networks while supporting diverse deployment scenarios. For example, by stitching Swin Transformers, we challenge hundreds of models in Timm model zoo with a single network. We believe this new elastic model framework can serve as a strong baseline for further research in wider communities.

MEDUSA: Multi-scale Encoder-Decoder Self-Attention Deep Neural Network Architecture for Medical Image Analysis

Medical image analysis continues to hold interesting challenges given the subtle characteristics of certain diseases and the significant overlap in appearance between diseases. In this work, we explore the concept of self-attention for tackling such subtleties in and between diseases. To this end, we introduce MEDUSA, a multi-scale encoder-decoder self-attention mechanism tailored for medical image analysis. While self-attention deep convolutional neural network architectures in existing literature center around the notion of multiple isolated lightweight attention mechanisms with limited individual capacities being incorporated at different points in the network architecture, MEDUSA takes a significant departure from this notion by possessing a single, unified self-attention mechanism with significantly higher capacity with multiple attention heads feeding into different scales in the network architecture. To the best of the authors' knowledge, this is the first "single body, multi-scale heads" realization of self-attention and enables explicit global context amongst selective attention at different levels of representational abstractions while still enabling differing local attention context at individual levels of abstractions. With MEDUSA, we obtain state-of-the-art performance on multiple challenging medical image analysis benchmarks including COVIDx, RSNA RICORD, and RSNA Pneumonia Challenge when compared to previous work. Our MEDUSA model is publicly available.

Bridging the Gap Between Vision Transformers and Convolutional Neural Networks on Small Datasets

There still remains an extreme performance gap between Vision Transformers (ViTs) and Convolutional Neural Networks (CNNs) when training from scratch on small datasets, which is concluded to the lack of inductive bias. In this paper, we further consider this problem and point out two weaknesses of ViTs in inductive biases, that is, the spatial relevance and diverse channel representation. First, on spatial aspect, objects are locally compact and relevant, thus fine-grained feature needs to be extracted from a token and its neighbors. While the lack of data hinders ViTs to attend the spatial relevance. Second, on channel aspect, representation exhibits diversity on different channels. But the scarce data can not enable ViTs to learn strong enough representation for accurate recognition. To this end, we propose Dynamic Hybrid Vision Transformer (DHVT) as the solution to enhance the two inductive biases. On spatial aspect, we adopt a hybrid structure, in which convolution is integrated into patch embedding and multi-layer perceptron module, forcing the model to capture the token features as well as their neighboring features. On channel aspect, we introduce a dynamic feature aggregation module in MLP and a brand new "head token" design in multi-head self-attention module to help re-calibrate channel representation and make different channel group representation interacts with each other. The fusion of weak channel representation forms a strong enough representation for classification. With this design, we successfully eliminate the performance gap between CNNs and ViTs, and our DHVT achieves a series of state-of-the-art performance with a lightweight model, 85.68% on CIFAR-100 with 22.8M parameters, 82.3% on ImageNet-1K with 24.0M parameters. Code is available at https://github.com/ArieSeirack/DHVT.

Towards Reliable Neural Specifications

Having reliable specifications is an unavoidable challenge in achieving verifiable correctness, robustness, and interpretability of AI systems. Existing specifications for neural networks are in the paradigm of data as specification. That is, the local neighborhood centering around a reference input is considered to be correct (or robust). While existing specifications contribute to verifying adversarial robustness, a significant problem in many research domains, our empirical study shows that those verified regions are somewhat tight, and thus fail to allow verification of test set inputs, making them impractical for some real-world applications. To this end, we propose a new family of specifications called neural representation as specification, which uses the intrinsic information of neural networks - neural activation patterns (NAPs), rather than input data to specify the correctness and/or robustness of neural network predictions. We present a simple statistical approach to mining neural activation patterns. To show the effectiveness of discovered NAPs, we formally verify several important properties, such as various types of misclassifications will never happen for a given NAP, and there is no ambiguity between different NAPs. We show that by using NAP, we can verify a significant region of the input space, while still recalling 84% of the data on MNIST. Moreover, we can push the verifiable bound to 10 times larger on the CIFAR10 benchmark. Thus, we argue that NAPs can potentially be used as a more reliable and extensible specification for neural network verification.

Neural Foundations of Mental Simulation: Future Prediction of Latent Representations on Dynamic Scenes

Humans and animals have a rich and flexible understanding of the physical world, which enables them to infer the underlying dynamical trajectories of objects and events, plausible future states, and use that to plan and anticipate the consequences of actions. However, the neural mechanisms underlying these computations are unclear. We combine a goal-driven modeling approach with dense neurophysiological data and high-throughput human behavioral readouts to directly impinge on this question. Specifically, we construct and evaluate several classes of sensory-cognitive networks to predict the future state of rich, ethologically-relevant environments, ranging from self-supervised end-to-end models with pixel-wise or object-centric objectives, to models that future predict in the latent space of purely static image-based or dynamic video-based pretrained foundation models. We find strong differentiation across these model classes in their ability to predict neural and behavioral data both within and across diverse environments. In particular, we find that neural responses are currently best predicted by models trained to predict the future state of their environment in the latent space of pretrained foundation models optimized for dynamic scenes in a self-supervised manner. Notably, models that future predict in the latent space of video foundation models that are optimized to support a diverse range of sensorimotor tasks, reasonably match both human behavioral error patterns and neural dynamics across all environmental scenarios that we were able to test. Overall, these findings suggest that the neural mechanisms and behaviors of primate mental simulation are thus far most consistent with being optimized to future predict on dynamic, reusable visual representations that are useful for embodied AI more generally.

Heterogeneous Graph Representation Learning with Relation Awareness

Representation learning on heterogeneous graphs aims to obtain meaningful node representations to facilitate various downstream tasks, such as node classification and link prediction. Existing heterogeneous graph learning methods are primarily developed by following the propagation mechanism of node representations. There are few efforts on studying the role of relations for improving the learning of more fine-grained node representations. Indeed, it is important to collaboratively learn the semantic representations of relations and discern node representations with respect to different relation types. To this end, in this paper, we propose a novel Relation-aware Heterogeneous Graph Neural Network, namely R-HGNN, to learn node representations on heterogeneous graphs at a fine-grained level by considering relation-aware characteristics. Specifically, a dedicated graph convolution component is first designed to learn unique node representations from each relation-specific graph separately. Then, a cross-relation message passing module is developed to improve the interactions of node representations across different relations. Also, the relation representations are learned in a layer-wise manner to capture relation semantics, which are used to guide the node representation learning process. Moreover, a semantic fusing module is presented to aggregate relation-aware node representations into a compact representation with the learned relation representations. Finally, we conduct extensive experiments on a variety of graph learning tasks, and experimental results demonstrate that our approach consistently outperforms existing methods among all the tasks.

Underwater SONAR Image Classification and Analysis using LIME-based Explainable Artificial Intelligence

Deep learning techniques have revolutionized image classification by mimicking human cognition and automating complex decision-making processes. However, the deployment of AI systems in the wild, especially in high-security domains such as defence, is curbed by the lack of explainability of the model. To this end, eXplainable AI (XAI) is an emerging area of research that is intended to explore the unexplained hidden black box nature of deep neural networks. This paper explores the application of the eXplainable Artificial Intelligence (XAI) tool to interpret the underwater image classification results, one of the first works in the domain to the best of our knowledge. Our study delves into the realm of SONAR image classification using a custom dataset derived from diverse sources, including the Seabed Objects KLSG dataset, the camera SONAR dataset, the mine SONAR images dataset, and the SCTD dataset. An extensive analysis of transfer learning techniques for image classification using benchmark Convolutional Neural Network (CNN) architectures such as VGG16, ResNet50, InceptionV3, DenseNet121, etc. is carried out. On top of this classification model, a post-hoc XAI technique, viz. Local Interpretable Model-Agnostic Explanations (LIME) are incorporated to provide transparent justifications for the model's decisions by perturbing input data locally to see how predictions change. Furthermore, Submodular Picks LIME (SP-LIME) a version of LIME particular to images, that perturbs the image based on the submodular picks is also extensively studied. To this end, two submodular optimization algorithms i.e. Quickshift and Simple Linear Iterative Clustering (SLIC) are leveraged towards submodular picks. The extensive analysis of XAI techniques highlights interpretability of the results in a more human-compliant way, thus boosting our confidence and reliability.

Generalizing Neural Human Fitting to Unseen Poses With Articulated SE(3) Equivariance

We address the problem of fitting a parametric human body model (SMPL) to point cloud data. Optimization-based methods require careful initialization and are prone to becoming trapped in local optima. Learning-based methods address this but do not generalize well when the input pose is far from those seen during training. For rigid point clouds, remarkable generalization has been achieved by leveraging SE(3)-equivariant networks, but these methods do not work on articulated objects. In this work we extend this idea to human bodies and propose ArtEq, a novel part-based SE(3)-equivariant neural architecture for SMPL model estimation from point clouds. Specifically, we learn a part detection network by leveraging local SO(3) invariance, and regress shape and pose using articulated SE(3) shape-invariant and pose-equivariant networks, all trained end-to-end. Our novel pose regression module leverages the permutation-equivariant property of self-attention layers to preserve rotational equivariance. Experimental results show that ArtEq generalizes to poses not seen during training, outperforming state-of-the-art methods by ~44% in terms of body reconstruction accuracy, without requiring an optimization refinement step. Furthermore, ArtEq is three orders of magnitude faster during inference than prior work and has 97.3% fewer parameters. The code and model are available for research purposes at https://arteq.is.tue.mpg.de.

A reconfigurable neural network ASIC for detector front-end data compression at the HL-LHC

Despite advances in the programmable logic capabilities of modern trigger systems, a significant bottleneck remains in the amount of data to be transported from the detector to off-detector logic where trigger decisions are made. We demonstrate that a neural network autoencoder model can be implemented in a radiation tolerant ASIC to perform lossy data compression alleviating the data transmission problem while preserving critical information of the detector energy profile. For our application, we consider the high-granularity calorimeter from the CMS experiment at the CERN Large Hadron Collider. The advantage of the machine learning approach is in the flexibility and configurability of the algorithm. By changing the neural network weights, a unique data compression algorithm can be deployed for each sensor in different detector regions, and changing detector or collider conditions. To meet area, performance, and power constraints, we perform a quantization-aware training to create an optimized neural network hardware implementation. The design is achieved through the use of high-level synthesis tools and the hls4ml framework, and was processed through synthesis and physical layout flows based on a LP CMOS 65 nm technology node. The flow anticipates 200 Mrad of ionizing radiation to select gates, and reports a total area of 3.6 mm^2 and consumes 95 mW of power. The simulated energy consumption per inference is 2.4 nJ. This is the first radiation tolerant on-detector ASIC implementation of a neural network that has been designed for particle physics applications.

The 'Paris-end' of town? Urban typology through machine learning

The confluence of recent advances in availability of geospatial information, computing power, and artificial intelligence offers new opportunities to understand how and where our cities differ or are alike. Departing from a traditional `top-down' analysis of urban design features, this project analyses millions of images of urban form (consisting of street view, satellite imagery, and street maps) to find shared characteristics. A (novel) neural network-based framework is trained with imagery from the largest 1692 cities in the world and the resulting models are used to compare within-city locations from Melbourne and Sydney to determine the closest connections between these areas and their international comparators. This work demonstrates a new, consistent, and objective method to begin to understand the relationship between cities and their health, transport, and environmental consequences of their design. The results show specific advantages and disadvantages using each type of imagery. Neural networks trained with map imagery will be highly influenced by the mix of roads, public transport, and green and blue space as well as the structure of these elements. The colours of natural and built features stand out as dominant characteristics in satellite imagery. The use of street view imagery will emphasise the features of a human scaled visual geography of streetscapes. Finally, and perhaps most importantly, this research also answers the age-old question, ``Is there really a `Paris-end' to your city?''.

Learning Neural Constitutive Laws From Motion Observations for Generalizable PDE Dynamics

We propose a hybrid neural network (NN) and PDE approach for learning generalizable PDE dynamics from motion observations. Many NN approaches learn an end-to-end model that implicitly models both the governing PDE and constitutive models (or material models). Without explicit PDE knowledge, these approaches cannot guarantee physical correctness and have limited generalizability. We argue that the governing PDEs are often well-known and should be explicitly enforced rather than learned. Instead, constitutive models are particularly suitable for learning due to their data-fitting nature. To this end, we introduce a new framework termed "Neural Constitutive Laws" (NCLaw), which utilizes a network architecture that strictly guarantees standard constitutive priors, including rotation equivariance and undeformed state equilibrium. We embed this network inside a differentiable simulation and train the model by minimizing a loss function based on the difference between the simulation and the motion observation. We validate NCLaw on various large-deformation dynamical systems, ranging from solids to fluids. After training on a single motion trajectory, our method generalizes to new geometries, initial/boundary conditions, temporal ranges, and even multi-physics systems. On these extremely out-of-distribution generalization tasks, NCLaw is orders-of-magnitude more accurate than previous NN approaches. Real-world experiments demonstrate our method's ability to learn constitutive laws from videos.

Equiangular Basis Vectors

We propose Equiangular Basis Vectors (EBVs) for classification tasks. In deep neural networks, models usually end with a k-way fully connected layer with softmax to handle different classification tasks. The learning objective of these methods can be summarized as mapping the learned feature representations to the samples' label space. While in metric learning approaches, the main objective is to learn a transformation function that maps training data points from the original space to a new space where similar points are closer while dissimilar points become farther apart. Different from previous methods, our EBVs generate normalized vector embeddings as "predefined classifiers" which are required to not only be with the equal status between each other, but also be as orthogonal as possible. By minimizing the spherical distance of the embedding of an input between its categorical EBV in training, the predictions can be obtained by identifying the categorical EBV with the smallest distance during inference. Various experiments on the ImageNet-1K dataset and other downstream tasks demonstrate that our method outperforms the general fully connected classifier while it does not introduce huge additional computation compared with classical metric learning methods. Our EBVs won the first place in the 2022 DIGIX Global AI Challenge, and our code is open-source and available at https://github.com/NJUST-VIPGroup/Equiangular-Basis-Vectors.

SGL: Symbolic Goal Learning in a Hybrid, Modular Framework for Human Instruction Following

This paper investigates robot manipulation based on human instruction with ambiguous requests. The intent is to compensate for imperfect natural language via visual observations. Early symbolic methods, based on manually defined symbols, built modular framework consist of semantic parsing and task planning for producing sequences of actions from natural language requests. Modern connectionist methods employ deep neural networks to automatically learn visual and linguistic features and map to a sequence of low-level actions, in an endto-end fashion. These two approaches are blended to create a hybrid, modular framework: it formulates instruction following as symbolic goal learning via deep neural networks followed by task planning via symbolic planners. Connectionist and symbolic modules are bridged with Planning Domain Definition Language. The vision-and-language learning network predicts its goal representation, which is sent to a planner for producing a task-completing action sequence. For improving the flexibility of natural language, we further incorporate implicit human intents with explicit human instructions. To learn generic features for vision and language, we propose to separately pretrain vision and language encoders on scene graph parsing and semantic textual similarity tasks. Benchmarking evaluates the impacts of different components of, or options for, the vision-and-language learning model and shows the effectiveness of pretraining strategies. Manipulation experiments conducted in the simulator AI2THOR show the robustness of the framework to novel scenarios.

Magnitude Invariant Parametrizations Improve Hypernetwork Learning

Hypernetworks, neural networks that predict the parameters of another neural network, are powerful models that have been successfully used in diverse applications from image generation to multi-task learning. Unfortunately, existing hypernetworks are often challenging to train. Training typically converges far more slowly than for non-hypernetwork models, and the rate of convergence can be very sensitive to hyperparameter choices. In this work, we identify a fundamental and previously unidentified problem that contributes to the challenge of training hypernetworks: a magnitude proportionality between the inputs and outputs of the hypernetwork. We demonstrate both analytically and empirically that this can lead to unstable optimization, thereby slowing down convergence, and sometimes even preventing any learning. We present a simple solution to this problem using a revised hypernetwork formulation that we call Magnitude Invariant Parametrizations (MIP). We demonstrate the proposed solution on several hypernetwork tasks, where it consistently stabilizes training and achieves faster convergence. Furthermore, we perform a comprehensive ablation study including choices of activation function, normalization strategies, input dimensionality, and hypernetwork architecture; and find that MIP improves training in all scenarios. We provide easy-to-use code that can turn existing networks into MIP-based hypernetworks.

Pointer Networks

We introduce a new neural architecture to learn the conditional probability of an output sequence with elements that are discrete tokens corresponding to positions in an input sequence. Such problems cannot be trivially addressed by existent approaches such as sequence-to-sequence and Neural Turing Machines, because the number of target classes in each step of the output depends on the length of the input, which is variable. Problems such as sorting variable sized sequences, and various combinatorial optimization problems belong to this class. Our model solves the problem of variable size output dictionaries using a recently proposed mechanism of neural attention. It differs from the previous attention attempts in that, instead of using attention to blend hidden units of an encoder to a context vector at each decoder step, it uses attention as a pointer to select a member of the input sequence as the output. We call this architecture a Pointer Net (Ptr-Net). We show Ptr-Nets can be used to learn approximate solutions to three challenging geometric problems -- finding planar convex hulls, computing Delaunay triangulations, and the planar Travelling Salesman Problem -- using training examples alone. Ptr-Nets not only improve over sequence-to-sequence with input attention, but also allow us to generalize to variable size output dictionaries. We show that the learnt models generalize beyond the maximum lengths they were trained on. We hope our results on these tasks will encourage a broader exploration of neural learning for discrete problems.

Neural Collapse in Deep Linear Networks: From Balanced to Imbalanced Data

Modern deep neural networks have achieved impressive performance on tasks from image classification to natural language processing. Surprisingly, these complex systems with massive amounts of parameters exhibit the same structural properties in their last-layer features and classifiers across canonical datasets when training until convergence. In particular, it has been observed that the last-layer features collapse to their class-means, and those class-means are the vertices of a simplex Equiangular Tight Frame (ETF). This phenomenon is known as Neural Collapse (NC). Recent papers have theoretically shown that NC emerges in the global minimizers of training problems with the simplified "unconstrained feature model". In this context, we take a step further and prove the NC occurrences in deep linear networks for the popular mean squared error (MSE) and cross entropy (CE) losses, showing that global solutions exhibit NC properties across the linear layers. Furthermore, we extend our study to imbalanced data for MSE loss and present the first geometric analysis of NC under bias-free setting. Our results demonstrate the convergence of the last-layer features and classifiers to a geometry consisting of orthogonal vectors, whose lengths depend on the amount of data in their corresponding classes. Finally, we empirically validate our theoretical analyses on synthetic and practical network architectures with both balanced and imbalanced scenarios.

Convergent Learning: Do different neural networks learn the same representations?

Recent success in training deep neural networks have prompted active investigation into the features learned on their intermediate layers. Such research is difficult because it requires making sense of non-linear computations performed by millions of parameters, but valuable because it increases our ability to understand current models and create improved versions of them. In this paper we investigate the extent to which neural networks exhibit what we call convergent learning, which is when the representations learned by multiple nets converge to a set of features which are either individually similar between networks or where subsets of features span similar low-dimensional spaces. We propose a specific method of probing representations: training multiple networks and then comparing and contrasting their individual, learned representations at the level of neurons or groups of neurons. We begin research into this question using three techniques to approximately align different neural networks on a feature level: a bipartite matching approach that makes one-to-one assignments between neurons, a sparse prediction approach that finds one-to-many mappings, and a spectral clustering approach that finds many-to-many mappings. This initial investigation reveals a few previously unknown properties of neural networks, and we argue that future research into the question of convergent learning will yield many more. The insights described here include (1) that some features are learned reliably in multiple networks, yet other features are not consistently learned; (2) that units learn to span low-dimensional subspaces and, while these subspaces are common to multiple networks, the specific basis vectors learned are not; (3) that the representation codes show evidence of being a mix between a local code and slightly, but not fully, distributed codes across multiple units.

A Critical Review of Recurrent Neural Networks for Sequence Learning

Countless learning tasks require dealing with sequential data. Image captioning, speech synthesis, and music generation all require that a model produce outputs that are sequences. In other domains, such as time series prediction, video analysis, and musical information retrieval, a model must learn from inputs that are sequences. Interactive tasks, such as translating natural language, engaging in dialogue, and controlling a robot, often demand both capabilities. Recurrent neural networks (RNNs) are connectionist models that capture the dynamics of sequences via cycles in the network of nodes. Unlike standard feedforward neural networks, recurrent networks retain a state that can represent information from an arbitrarily long context window. Although recurrent neural networks have traditionally been difficult to train, and often contain millions of parameters, recent advances in network architectures, optimization techniques, and parallel computation have enabled successful large-scale learning with them. In recent years, systems based on long short-term memory (LSTM) and bidirectional (BRNN) architectures have demonstrated ground-breaking performance on tasks as varied as image captioning, language translation, and handwriting recognition. In this survey, we review and synthesize the research that over the past three decades first yielded and then made practical these powerful learning models. When appropriate, we reconcile conflicting notation and nomenclature. Our goal is to provide a self-contained explication of the state of the art together with a historical perspective and references to primary research.

Neural Common Neighbor with Completion for Link Prediction

Despite its outstanding performance in various graph tasks, vanilla Message Passing Neural Network (MPNN) usually fails in link prediction tasks, as it only uses representations of two individual target nodes and ignores the pairwise relation between them. To capture the pairwise relations, some models add manual features to the input graph and use the output of MPNN to produce pairwise representations. In contrast, others directly use manual features as pairwise representations. Though this simplification avoids applying a GNN to each link individually and thus improves scalability, these models still have much room for performance improvement due to the hand-crafted and unlearnable pairwise features. To upgrade performance while maintaining scalability, we propose Neural Common Neighbor (NCN), which uses learnable pairwise representations. To further boost NCN, we study the unobserved link problem. The incompleteness of the graph is ubiquitous and leads to distribution shifts between the training and test set, loss of common neighbor information, and performance degradation of models. Therefore, we propose two intervention methods: common neighbor completion and target link removal. Combining the two methods with NCN, we propose Neural Common Neighbor with Completion (NCNC). NCN and NCNC outperform recent strong baselines by large margins. NCNC achieves state-of-the-art performance in link prediction tasks. Our code is available at https://github.com/GraphPKU/NeuralCommonNeighbor.

Continual Learning with Dependency Preserving Hypernetworks

Humans learn continually throughout their lifespan by accumulating diverse knowledge and fine-tuning it for future tasks. When presented with a similar goal, neural networks suffer from catastrophic forgetting if data distributions across sequential tasks are not stationary over the course of learning. An effective approach to address such continual learning (CL) problems is to use hypernetworks which generate task dependent weights for a target network. However, the continual learning performance of existing hypernetwork based approaches are affected by the assumption of independence of the weights across the layers in order to maintain parameter efficiency. To address this limitation, we propose a novel approach that uses a dependency preserving hypernetwork to generate weights for the target network while also maintaining the parameter efficiency. We propose to use recurrent neural network (RNN) based hypernetwork that can generate layer weights efficiently while allowing for dependencies across them. In addition, we propose novel regularisation and network growth techniques for the RNN based hypernetwork to further improve the continual learning performance. To demonstrate the effectiveness of the proposed methods, we conducted experiments on several image classification continual learning tasks and settings. We found that the proposed methods based on the RNN hypernetworks outperformed the baselines in all these CL settings and tasks.

Forward Learning of Graph Neural Networks

Graph neural networks (GNNs) have achieved remarkable success across a wide range of applications, such as recommendation, drug discovery, and question answering. Behind the success of GNNs lies the backpropagation (BP) algorithm, which is the de facto standard for training deep neural networks (NNs). However, despite its effectiveness, BP imposes several constraints, which are not only biologically implausible, but also limit the scalability, parallelism, and flexibility in learning NNs. Examples of such constraints include storage of neural activities computed in the forward pass for use in the subsequent backward pass, and the dependence of parameter updates on non-local signals. To address these limitations, the forward-forward algorithm (FF) was recently proposed as an alternative to BP in the image classification domain, which trains NNs by performing two forward passes over positive and negative data. Inspired by this advance, we propose ForwardGNN in this work, a new forward learning procedure for GNNs, which avoids the constraints imposed by BP via an effective layer-wise local forward training. ForwardGNN extends the original FF to deal with graph data and GNNs, and makes it possible to operate without generating negative inputs (hence no longer forward-forward). Further, ForwardGNN enables each layer to learn from both the bottom-up and top-down signals without relying on the backpropagation of errors. Extensive experiments on real-world datasets show the effectiveness and generality of the proposed forward graph learning framework. We release our code at https://github.com/facebookresearch/forwardgnn.

Wide and Deep Neural Networks Achieve Optimality for Classification

While neural networks are used for classification tasks across domains, a long-standing open problem in machine learning is determining whether neural networks trained using standard procedures are optimal for classification, i.e., whether such models minimize the probability of misclassification for arbitrary data distributions. In this work, we identify and construct an explicit set of neural network classifiers that achieve optimality. Since effective neural networks in practice are typically both wide and deep, we analyze infinitely wide networks that are also infinitely deep. In particular, using the recent connection between infinitely wide neural networks and Neural Tangent Kernels, we provide explicit activation functions that can be used to construct networks that achieve optimality. Interestingly, these activation functions are simple and easy to implement, yet differ from commonly used activations such as ReLU or sigmoid. More generally, we create a taxonomy of infinitely wide and deep networks and show that these models implement one of three well-known classifiers depending on the activation function used: (1) 1-nearest neighbor (model predictions are given by the label of the nearest training example); (2) majority vote (model predictions are given by the label of the class with greatest representation in the training set); or (3) singular kernel classifiers (a set of classifiers containing those that achieve optimality). Our results highlight the benefit of using deep networks for classification tasks, in contrast to regression tasks, where excessive depth is harmful.

Adding Gradient Noise Improves Learning for Very Deep Networks

Deep feedforward and recurrent networks have achieved impressive results in many perception and language processing applications. This success is partially attributed to architectural innovations such as convolutional and long short-term memory networks. The main motivation for these architectural innovations is that they capture better domain knowledge, and importantly are easier to optimize than more basic architectures. Recently, more complex architectures such as Neural Turing Machines and Memory Networks have been proposed for tasks including question answering and general computation, creating a new set of optimization challenges. In this paper, we discuss a low-overhead and easy-to-implement technique of adding gradient noise which we find to be surprisingly effective when training these very deep architectures. The technique not only helps to avoid overfitting, but also can result in lower training loss. This method alone allows a fully-connected 20-layer deep network to be trained with standard gradient descent, even starting from a poor initialization. We see consistent improvements for many complex models, including a 72% relative reduction in error rate over a carefully-tuned baseline on a challenging question-answering task, and a doubling of the number of accurate binary multiplication models learned across 7,000 random restarts. We encourage further application of this technique to additional complex modern architectures.

Long-term Recurrent Convolutional Networks for Visual Recognition and Description

Models based on deep convolutional networks have dominated recent image interpretation tasks; we investigate whether models which are also recurrent, or "temporally deep", are effective for tasks involving sequences, visual and otherwise. We develop a novel recurrent convolutional architecture suitable for large-scale visual learning which is end-to-end trainable, and demonstrate the value of these models on benchmark video recognition tasks, image description and retrieval problems, and video narration challenges. In contrast to current models which assume a fixed spatio-temporal receptive field or simple temporal averaging for sequential processing, recurrent convolutional models are "doubly deep"' in that they can be compositional in spatial and temporal "layers". Such models may have advantages when target concepts are complex and/or training data are limited. Learning long-term dependencies is possible when nonlinearities are incorporated into the network state updates. Long-term RNN models are appealing in that they directly can map variable-length inputs (e.g., video frames) to variable length outputs (e.g., natural language text) and can model complex temporal dynamics; yet they can be optimized with backpropagation. Our recurrent long-term models are directly connected to modern visual convnet models and can be jointly trained to simultaneously learn temporal dynamics and convolutional perceptual representations. Our results show such models have distinct advantages over state-of-the-art models for recognition or generation which are separately defined and/or optimized.

Training the Untrainable: Introducing Inductive Bias via Representational Alignment

We demonstrate that architectures which traditionally are considered to be ill-suited for a task can be trained using inductive biases from another architecture. Networks are considered untrainable when they overfit, underfit, or converge to poor results even when tuning their hyperparameters. For example, plain fully connected networks overfit on object recognition while deep convolutional networks without residual connections underfit. The traditional answer is to change the architecture to impose some inductive bias, although what that bias is remains unknown. We introduce guidance, where a guide network guides a target network using a neural distance function. The target is optimized to perform well and to match its internal representations, layer-by-layer, to those of the guide; the guide is unchanged. If the guide is trained, this transfers over part of the architectural prior and knowledge of the guide to the target. If the guide is untrained, this transfers over only part of the architectural prior of the guide. In this manner, we can investigate what kinds of priors different architectures place on untrainable networks such as fully connected networks. We demonstrate that this method overcomes the immediate overfitting of fully connected networks on vision tasks, makes plain CNNs competitive to ResNets, closes much of the gap between plain vanilla RNNs and Transformers, and can even help Transformers learn tasks which RNNs can perform more easily. We also discover evidence that better initializations of fully connected networks likely exist to avoid overfitting. Our method provides a mathematical tool to investigate priors and architectures, and in the long term, may demystify the dark art of architecture creation, even perhaps turning architectures into a continuous optimizable parameter of the network.

Discrete Key-Value Bottleneck

Deep neural networks perform well on classification tasks where data streams are i.i.d. and labeled data is abundant. Challenges emerge with non-stationary training data streams such as continual learning. One powerful approach that has addressed this challenge involves pre-training of large encoders on volumes of readily available data, followed by task-specific tuning. Given a new task, however, updating the weights of these encoders is challenging as a large number of weights needs to be fine-tuned, and as a result, they forget information about the previous tasks. In the present work, we propose a model architecture to address this issue, building upon a discrete bottleneck containing pairs of separate and learnable key-value codes. Our paradigm will be to encode; process the representation via a discrete bottleneck; and decode. Here, the input is fed to the pre-trained encoder, the output of the encoder is used to select the nearest keys, and the corresponding values are fed to the decoder to solve the current task. The model can only fetch and re-use a sparse number of these key-value pairs during inference, enabling localized and context-dependent model updates. We theoretically investigate the ability of the discrete key-value bottleneck to minimize the effect of learning under distribution shifts and show that it reduces the complexity of the hypothesis class. We empirically verify the proposed method under challenging class-incremental learning scenarios and show that the proposed model - without any task boundaries - reduces catastrophic forgetting across a wide variety of pre-trained models, outperforming relevant baselines on this task.

Feature Learning in Infinite-Width Neural Networks

As its width tends to infinity, a deep neural network's behavior under gradient descent can become simplified and predictable (e.g. given by the Neural Tangent Kernel (NTK)), if it is parametrized appropriately (e.g. the NTK parametrization). However, we show that the standard and NTK parametrizations of a neural network do not admit infinite-width limits that can learn features, which is crucial for pretraining and transfer learning such as with BERT. We propose simple modifications to the standard parametrization to allow for feature learning in the limit. Using the *Tensor Programs* technique, we derive explicit formulas for such limits. On Word2Vec and few-shot learning on Omniglot via MAML, two canonical tasks that rely crucially on feature learning, we compute these limits exactly. We find that they outperform both NTK baselines and finite-width networks, with the latter approaching the infinite-width feature learning performance as width increases. More generally, we classify a natural space of neural network parametrizations that generalizes standard, NTK, and Mean Field parametrizations. We show 1) any parametrization in this space either admits feature learning or has an infinite-width training dynamics given by kernel gradient descent, but not both; 2) any such infinite-width limit can be computed using the Tensor Programs technique. Code for our experiments can be found at github.com/edwardjhu/TP4.

MgNO: Efficient Parameterization of Linear Operators via Multigrid

In this work, we propose a concise neural operator architecture for operator learning. Drawing an analogy with a conventional fully connected neural network, we define the neural operator as follows: the output of the i-th neuron in a nonlinear operator layer is defined by mathcal O_i(u) = sigmaleft( sum_j mathcal W_{ij} u + mathcal B_{ij}right). Here, mathcal W_{ij} denotes the bounded linear operator connecting j-th input neuron to i-th output neuron, and the bias mathcal B_{ij} takes the form of a function rather than a scalar. Given its new universal approximation property, the efficient parameterization of the bounded linear operators between two neurons (Banach spaces) plays a critical role. As a result, we introduce MgNO, utilizing multigrid structures to parameterize these linear operators between neurons. This approach offers both mathematical rigor and practical expressivity. Additionally, MgNO obviates the need for conventional lifting and projecting operators typically required in previous neural operators. Moreover, it seamlessly accommodates diverse boundary conditions. Our empirical observations reveal that MgNO exhibits superior ease of training compared to other CNN-based models, while also displaying a reduced susceptibility to overfitting when contrasted with spectral-type neural operators. We demonstrate the efficiency and accuracy of our method with consistently state-of-the-art performance on different types of partial differential equations (PDEs).

N2N Learning: Network to Network Compression via Policy Gradient Reinforcement Learning

While bigger and deeper neural network architectures continue to advance the state-of-the-art for many computer vision tasks, real-world adoption of these networks is impeded by hardware and speed constraints. Conventional model compression methods attempt to address this problem by modifying the architecture manually or using pre-defined heuristics. Since the space of all reduced architectures is very large, modifying the architecture of a deep neural network in this way is a difficult task. In this paper, we tackle this issue by introducing a principled method for learning reduced network architectures in a data-driven way using reinforcement learning. Our approach takes a larger `teacher' network as input and outputs a compressed `student' network derived from the `teacher' network. In the first stage of our method, a recurrent policy network aggressively removes layers from the large `teacher' model. In the second stage, another recurrent policy network carefully reduces the size of each remaining layer. The resulting network is then evaluated to obtain a reward -- a score based on the accuracy and compression of the network. Our approach uses this reward signal with policy gradients to train the policies to find a locally optimal student network. Our experiments show that we can achieve compression rates of more than 10x for models such as ResNet-34 while maintaining similar performance to the input `teacher' network. We also present a valuable transfer learning result which shows that policies which are pre-trained on smaller `teacher' networks can be used to rapidly speed up training on larger `teacher' networks.

Auto-GNN: Neural Architecture Search of Graph Neural Networks

Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture. It is because the performance of a GNN architecture is significantly affected by the choice of graph convolution components, such as aggregate function and hidden dimension. Neural architecture search (NAS) has shown its potential in discovering effective deep architectures for learning tasks in image and language modeling. However, existing NAS algorithms cannot be directly applied to the GNN search problem. First, the search space of GNN is different from the ones in existing NAS work. Second, the representation learning capacity of GNN architecture changes obviously with slight architecture modifications. It affects the search efficiency of traditional search methods. Third, widely used techniques in NAS such as parameter sharing might become unstable in GNN. To bridge the gap, we propose the automated graph neural networks (AGNN) framework, which aims to find an optimal GNN architecture within a predefined search space. A reinforcement learning based controller is designed to greedily validate architectures via small steps. AGNN has a novel parameter sharing strategy that enables homogeneous architectures to share parameters, based on a carefully-designed homogeneity definition. Experiments on real-world benchmark datasets demonstrate that the GNN architecture identified by AGNN achieves the best performance, comparing with existing handcrafted models and tradistional search methods.

Relational Deep Learning: Graph Representation Learning on Relational Databases

Much of the world's most valued data is stored in relational databases and data warehouses, where the data is organized into many tables connected by primary-foreign key relations. However, building machine learning models using this data is both challenging and time consuming. The core problem is that no machine learning method is capable of learning on multiple tables interconnected by primary-foreign key relations. Current methods can only learn from a single table, so the data must first be manually joined and aggregated into a single training table, the process known as feature engineering. Feature engineering is slow, error prone and leads to suboptimal models. Here we introduce an end-to-end deep representation learning approach to directly learn on data laid out across multiple tables. We name our approach Relational Deep Learning (RDL). The core idea is to view relational databases as a temporal, heterogeneous graph, with a node for each row in each table, and edges specified by primary-foreign key links. Message Passing Graph Neural Networks can then automatically learn across the graph to extract representations that leverage all input data, without any manual feature engineering. Relational Deep Learning leads to more accurate models that can be built much faster. To facilitate research in this area, we develop RelBench, a set of benchmark datasets and an implementation of Relational Deep Learning. The data covers a wide spectrum, from discussions on Stack Exchange to book reviews on the Amazon Product Catalog. Overall, we define a new research area that generalizes graph machine learning and broadens its applicability to a wide set of AI use cases.

Towards Deeper Graph Neural Networks

Graph neural networks have shown significant success in the field of graph representation learning. Graph convolutions perform neighborhood aggregation and represent one of the most important graph operations. Nevertheless, one layer of these neighborhood aggregation methods only consider immediate neighbors, and the performance decreases when going deeper to enable larger receptive fields. Several recent studies attribute this performance deterioration to the over-smoothing issue, which states that repeated propagation makes node representations of different classes indistinguishable. In this work, we study this observation systematically and develop new insights towards deeper graph neural networks. First, we provide a systematical analysis on this issue and argue that the key factor compromising the performance significantly is the entanglement of representation transformation and propagation in current graph convolution operations. After decoupling these two operations, deeper graph neural networks can be used to learn graph node representations from larger receptive fields. We further provide a theoretical analysis of the above observation when building very deep models, which can serve as a rigorous and gentle description of the over-smoothing issue. Based on our theoretical and empirical analysis, we propose Deep Adaptive Graph Neural Network (DAGNN) to adaptively incorporate information from large receptive fields. A set of experiments on citation, co-authorship, and co-purchase datasets have confirmed our analysis and insights and demonstrated the superiority of our proposed methods.

Vector representations of text data in deep learning

In this dissertation we report results of our research on dense distributed representations of text data. We propose two novel neural models for learning such representations. The first model learns representations at the document level, while the second model learns word-level representations. For document-level representations we propose Binary Paragraph Vector: a neural network models for learning binary representations of text documents, which can be used for fast document retrieval. We provide a thorough evaluation of these models and demonstrate that they outperform the seminal method in the field in the information retrieval task. We also report strong results in transfer learning settings, where our models are trained on a generic text corpus and then used to infer codes for documents from a domain-specific dataset. In contrast to previously proposed approaches, Binary Paragraph Vector models learn embeddings directly from raw text data. For word-level representations we propose Disambiguated Skip-gram: a neural network model for learning multi-sense word embeddings. Representations learned by this model can be used in downstream tasks, like part-of-speech tagging or identification of semantic relations. In the word sense induction task Disambiguated Skip-gram outperforms state-of-the-art models on three out of four benchmarks datasets. Our model has an elegant probabilistic interpretation. Furthermore, unlike previous models of this kind, it is differentiable with respect to all its parameters and can be trained with backpropagation. In addition to quantitative results, we present qualitative evaluation of Disambiguated Skip-gram, including two-dimensional visualisations of selected word-sense embeddings.

TabPFN: A Transformer That Solves Small Tabular Classification Problems in a Second

We present TabPFN, a trained Transformer that can do supervised classification for small tabular datasets in less than a second, needs no hyperparameter tuning and is competitive with state-of-the-art classification methods. TabPFN performs in-context learning (ICL), it learns to make predictions using sequences of labeled examples (x, f(x)) given in the input, without requiring further parameter updates. TabPFN is fully entailed in the weights of our network, which accepts training and test samples as a set-valued input and yields predictions for the entire test set in a single forward pass. TabPFN is a Prior-Data Fitted Network (PFN) and is trained offline once, to approximate Bayesian inference on synthetic datasets drawn from our prior. This prior incorporates ideas from causal reasoning: It entails a large space of structural causal models with a preference for simple structures. On the 18 datasets in the OpenML-CC18 suite that contain up to 1 000 training data points, up to 100 purely numerical features without missing values, and up to 10 classes, we show that our method clearly outperforms boosted trees and performs on par with complex state-of-the-art AutoML systems with up to 230times speedup. This increases to a 5 700times speedup when using a GPU. We also validate these results on an additional 67 small numerical datasets from OpenML. We provide all our code, the trained TabPFN, an interactive browser demo and a Colab notebook at https://github.com/automl/TabPFN.

A Deep Look into Neural Ranking Models for Information Retrieval

Ranking models lie at the heart of research on information retrieval (IR). During the past decades, different techniques have been proposed for constructing ranking models, from traditional heuristic methods, probabilistic methods, to modern machine learning methods. Recently, with the advance of deep learning technology, we have witnessed a growing body of work in applying shallow or deep neural networks to the ranking problem in IR, referred to as neural ranking models in this paper. The power of neural ranking models lies in the ability to learn from the raw text inputs for the ranking problem to avoid many limitations of hand-crafted features. Neural networks have sufficient capacity to model complicated tasks, which is needed to handle the complexity of relevance estimation in ranking. Since there have been a large variety of neural ranking models proposed, we believe it is the right time to summarize the current status, learn from existing methodologies, and gain some insights for future development. In contrast to existing reviews, in this survey, we will take a deep look into the neural ranking models from different dimensions to analyze their underlying assumptions, major design principles, and learning strategies. We compare these models through benchmark tasks to obtain a comprehensive empirical understanding of the existing techniques. We will also discuss what is missing in the current literature and what are the promising and desired future directions.

SortedNet, a Place for Every Network and Every Network in its Place: Towards a Generalized Solution for Training Many-in-One Neural Networks

As the size of deep learning models continues to grow, finding optimal models under memory and computation constraints becomes increasingly more important. Although usually the architecture and constituent building blocks of neural networks allow them to be used in a modular way, their training process is not aware of this modularity. Consequently, conventional neural network training lacks the flexibility to adapt the computational load of the model during inference. This paper proposes SortedNet, a generalized and scalable solution to harness the inherent modularity of deep neural networks across various dimensions for efficient dynamic inference. Our training considers a nested architecture for the sub-models with shared parameters and trains them together with the main model in a sorted and probabilistic manner. This sorted training of sub-networks enables us to scale the number of sub-networks to hundreds using a single round of training. We utilize a novel updating scheme during training that combines random sampling of sub-networks with gradient accumulation to improve training efficiency. Furthermore, the sorted nature of our training leads to a search-free sub-network selection at inference time; and the nested architecture of the resulting sub-networks leads to minimal storage requirement and efficient switching between sub-networks at inference. Our general dynamic training approach is demonstrated across various architectures and tasks, including large language models and pre-trained vision models. Experimental results show the efficacy of the proposed approach in achieving efficient sub-networks while outperforming state-of-the-art dynamic training approaches. Our findings demonstrate the feasibility of training up to 160 different sub-models simultaneously, showcasing the extensive scalability of our proposed method while maintaining 96% of the model performance.

The Principles of Deep Learning Theory

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

Beyond Inference: Performance Analysis of DNN Server Overheads for Computer Vision

Deep neural network (DNN) inference has become an important part of many data-center workloads. This has prompted focused efforts to design ever-faster deep learning accelerators such as GPUs and TPUs. However, an end-to-end DNN-based vision application contains more than just DNN inference, including input decompression, resizing, sampling, normalization, and data transfer. In this paper, we perform a thorough evaluation of computer vision inference requests performed on a throughput-optimized serving system. We quantify the performance impact of server overheads such as data movement, preprocessing, and message brokers between two DNNs producing outputs at different rates. Our empirical analysis encompasses many computer vision tasks including image classification, segmentation, detection, depth-estimation, and more complex processing pipelines with multiple DNNs. Our results consistently demonstrate that end-to-end application performance can easily be dominated by data processing and data movement functions (up to 56% of end-to-end latency in a medium-sized image, and sim 80% impact on system throughput in a large image), even though these functions have been conventionally overlooked in deep learning system design. Our work identifies important performance bottlenecks in different application scenarios, achieves 2.25times better throughput compared to prior work, and paves the way for more holistic deep learning system design.

Deep Model Assembling

Large deep learning models have achieved remarkable success in many scenarios. However, training large models is usually challenging, e.g., due to the high computational cost, the unstable and painfully slow optimization procedure, and the vulnerability to overfitting. To alleviate these problems, this work studies a divide-and-conquer strategy, i.e., dividing a large model into smaller modules, training them independently, and reassembling the trained modules to obtain the target model. This approach is promising since it avoids directly training large models from scratch. Nevertheless, implementing this idea is non-trivial, as it is difficult to ensure the compatibility of the independently trained modules. In this paper, we present an elegant solution to address this issue, i.e., we introduce a global, shared meta model to implicitly link all the modules together. This enables us to train highly compatible modules that collaborate effectively when they are assembled together. We further propose a module incubation mechanism that enables the meta model to be designed as an extremely shallow network. As a result, the additional overhead introduced by the meta model is minimalized. Though conceptually simple, our method significantly outperforms end-to-end (E2E) training in terms of both final accuracy and training efficiency. For example, on top of ViT-Huge, it improves the accuracy by 2.7% compared to the E2E baseline on ImageNet-1K, while saving the training cost by 43% in the meantime. Code is available at https://github.com/LeapLabTHU/Model-Assembling.

A Brief Review of Hypernetworks in Deep Learning

Hypernetworks, or hypernets in short, are neural networks that generate weights for another neural network, known as the target network. They have emerged as a powerful deep learning technique that allows for greater flexibility, adaptability, dynamism, faster training, information sharing, and model compression etc. Hypernets have shown promising results in a variety of deep learning problems, including continual learning, causal inference, transfer learning, weight pruning, uncertainty quantification, zero-shot learning, natural language processing, and reinforcement learning etc. Despite their success across different problem settings, currently, there is no review available to inform the researchers about the developments and to help in utilizing hypernets. To fill this gap, we review the progress in hypernets. We present an illustrative example to train deep neural networks using hypernets and propose categorizing hypernets based on five design criteria as inputs, outputs, variability of inputs and outputs, and architecture of hypernets. We also review applications of hypernets across different deep learning problem settings, followed by a discussion of general scenarios where hypernets can be effectively employed. Finally, we discuss the challenges and future directions that remain under-explored in the field of hypernets. We believe that hypernetworks have the potential to revolutionize the field of deep learning. They offer a new way to design and train neural networks, and they have the potential to improve the performance of deep learning models on a variety of tasks. Through this review, we aim to inspire further advancements in deep learning through hypernetworks.

Relative representations enable zero-shot latent space communication

Neural networks embed the geometric structure of a data manifold lying in a high-dimensional space into latent representations. Ideally, the distribution of the data points in the latent space should depend only on the task, the data, the loss, and other architecture-specific constraints. However, factors such as the random weights initialization, training hyperparameters, or other sources of randomness in the training phase may induce incoherent latent spaces that hinder any form of reuse. Nevertheless, we empirically observe that, under the same data and modeling choices, the angles between the encodings within distinct latent spaces do not change. In this work, we propose the latent similarity between each sample and a fixed set of anchors as an alternative data representation, demonstrating that it can enforce the desired invariances without any additional training. We show how neural architectures can leverage these relative representations to guarantee, in practice, invariance to latent isometries and rescalings, effectively enabling latent space communication: from zero-shot model stitching to latent space comparison between diverse settings. We extensively validate the generalization capability of our approach on different datasets, spanning various modalities (images, text, graphs), tasks (e.g., classification, reconstruction) and architectures (e.g., CNNs, GCNs, transformers).

Know2Vec: A Black-Box Proxy for Neural Network Retrieval

For general users, training a neural network from scratch is usually challenging and labor-intensive. Fortunately, neural network zoos enable them to find a well-performing model for directly use or fine-tuning it in their local environments. Although current model retrieval solutions attempt to convert neural network models into vectors to avoid complex multiple inference processes required for model selection, it is still difficult to choose a suitable model due to inaccurate vectorization and biased correlation alignment between the query dataset and models. From the perspective of knowledge consistency, i.e., whether the knowledge possessed by the model can meet the needs of query tasks, we propose a model retrieval scheme, named Know2Vec, that acts as a black-box retrieval proxy for model zoo. Know2Vec first accesses to models via a black-box interface in advance, capturing vital decision knowledge from models while ensuring their privacy. Next, it employs an effective encoding technique to transform the knowledge into precise model vectors. Secondly, it maps the user's query task to a knowledge vector by probing the semantic relationships within query samples. Furthermore, the proxy ensures the knowledge-consistency between query vector and model vectors within their alignment space, which is optimized through the supervised learning with diverse loss functions, and finally it can identify the most suitable model for a given task during the inference stage. Extensive experiments show that our Know2Vec achieves superior retrieval accuracy against the state-of-the-art methods in diverse neural network retrieval tasks.

Binary and Ternary Natural Language Generation

Ternary and binary neural networks enable multiplication-free computation and promise multiple orders of magnitude efficiency gains over full-precision networks if implemented on specialized hardware. However, since both the parameter and the output space are highly discretized, such networks have proven very difficult to optimize. The difficulties are compounded for the class of transformer text generation models due to the sensitivity of the attention operation to quantization and the noise-compounding effects of autoregressive decoding in the high-cardinality output space. We approach the problem with a mix of statistics-based quantization for the weights and elastic quantization of the activations and demonstrate the first ternary and binary transformer models on the downstream tasks of summarization and machine translation. Our ternary BART base achieves an R1 score of 41 on the CNN/DailyMail benchmark, which is merely 3.9 points behind the full model while being 16x more efficient. Our binary model, while less accurate, achieves a highly non-trivial score of 35.6. For machine translation, we achieved BLEU scores of 21.7 and 17.6 on the WMT16 En-Ro benchmark, compared with a full precision mBART model score of 26.8. We also compare our approach in the 8-bit activation setting, where our ternary and even binary weight models can match or outperform the best existing 8-bit weight models in the literature. Our code and models are available at: https://github.com/facebookresearch/Ternary_Binary_Transformer

EfficientTDNN: Efficient Architecture Search for Speaker Recognition

Convolutional neural networks (CNNs), such as the time-delay neural network (TDNN), have shown their remarkable capability in learning speaker embedding. However, they meanwhile bring a huge computational cost in storage size, processing, and memory. Discovering the specialized CNN that meets a specific constraint requires a substantial effort of human experts. Compared with hand-designed approaches, neural architecture search (NAS) appears as a practical technique in automating the manual architecture design process and has attracted increasing interest in spoken language processing tasks such as speaker recognition. In this paper, we propose EfficientTDNN, an efficient architecture search framework consisting of a TDNN-based supernet and a TDNN-NAS algorithm. The proposed supernet introduces temporal convolution of different ranges of the receptive field and feature aggregation of various resolutions from different layers to TDNN. On top of it, the TDNN-NAS algorithm quickly searches for the desired TDNN architecture via weight-sharing subnets, which surprisingly reduces computation while handling the vast number of devices with various resources requirements. Experimental results on the VoxCeleb dataset show the proposed EfficientTDNN enables approximate 10^{13} architectures concerning depth, kernel, and width. Considering different computation constraints, it achieves a 2.20% equal error rate (EER) with 204M multiply-accumulate operations (MACs), 1.41% EER with 571M MACs as well as 0.94% EER with 1.45G MACs. Comprehensive investigations suggest that the trained supernet generalizes subnets not sampled during training and obtains a favorable trade-off between accuracy and efficiency.

DiskGNN: Bridging I/O Efficiency and Model Accuracy for Out-of-Core GNN Training

Graph neural networks (GNNs) are machine learning models specialized for graph data and widely used in many applications. To train GNNs on large graphs that exceed CPU memory, several systems store data on disk and conduct out-of-core processing. However, these systems suffer from either read amplification when reading node features that are usually smaller than a disk page or degraded model accuracy by treating the graph as disconnected partitions. To close this gap, we build a system called DiskGNN, which achieves high I/O efficiency and thus fast training without hurting model accuracy. The key technique used by DiskGNN is offline sampling, which helps decouple graph sampling from model computation. In particular, by conducting graph sampling beforehand, DiskGNN acquires the node features that will be accessed by model computation, and such information is utilized to pack the target node features contiguously on disk to avoid read amplification. Besides, also adopts designs including four-level feature store to fully utilize the memory hierarchy to cache node features and reduce disk access, batched packing to accelerate the feature packing process, and pipelined training to overlap disk access with other operations. We compare DiskGNN with Ginex and MariusGNN, which are state-of-the-art systems for out-of-core GNN training. The results show that DiskGNN can speed up the baselines by over 8x while matching their best model accuracy.

FinalMLP: An Enhanced Two-Stream MLP Model for CTR Prediction

Click-through rate (CTR) prediction is one of the fundamental tasks for online advertising and recommendation. While multi-layer perceptron (MLP) serves as a core component in many deep CTR prediction models, it has been widely recognized that applying a vanilla MLP network alone is inefficient in learning multiplicative feature interactions. As such, many two-stream interaction models (e.g., DeepFM and DCN) have been proposed by integrating an MLP network with another dedicated network for enhanced CTR prediction. As the MLP stream learns feature interactions implicitly, existing research focuses mainly on enhancing explicit feature interactions in the complementary stream. In contrast, our empirical study shows that a well-tuned two-stream MLP model that simply combines two MLPs can even achieve surprisingly good performance, which has never been reported before by existing work. Based on this observation, we further propose feature gating and interaction aggregation layers that can be easily plugged to make an enhanced two-stream MLP model, FinalMLP. In this way, it not only enables differentiated feature inputs but also effectively fuses stream-level interactions across two streams. Our evaluation results on four open benchmark datasets as well as an online A/B test in our industrial system show that FinalMLP achieves better performance than many sophisticated two-stream CTR models. Our source code will be available at MindSpore/models.

A Survey of Techniques for Optimizing Transformer Inference

Recent years have seen a phenomenal rise in performance and applications of transformer neural networks. The family of transformer networks, including Bidirectional Encoder Representations from Transformer (BERT), Generative Pretrained Transformer (GPT) and Vision Transformer (ViT), have shown their effectiveness across Natural Language Processing (NLP) and Computer Vision (CV) domains. Transformer-based networks such as ChatGPT have impacted the lives of common men. However, the quest for high predictive performance has led to an exponential increase in transformers' memory and compute footprint. Researchers have proposed techniques to optimize transformer inference at all levels of abstraction. This paper presents a comprehensive survey of techniques for optimizing the inference phase of transformer networks. We survey techniques such as knowledge distillation, pruning, quantization, neural architecture search and lightweight network design at the algorithmic level. We further review hardware-level optimization techniques and the design of novel hardware accelerators for transformers. We summarize the quantitative results on the number of parameters/FLOPs and accuracy of several models/techniques to showcase the tradeoff exercised by them. We also outline future directions in this rapidly evolving field of research. We believe that this survey will educate both novice and seasoned researchers and also spark a plethora of research efforts in this field.

Deep Interest Network for Click-Through Rate Prediction

Click-through rate prediction is an essential task in industrial applications, such as online advertising. Recently deep learning based models have been proposed, which follow a similar Embedding\&MLP paradigm. In these methods large scale sparse input features are first mapped into low dimensional embedding vectors, and then transformed into fixed-length vectors in a group-wise manner, finally concatenated together to fed into a multilayer perceptron (MLP) to learn the nonlinear relations among features. In this way, user features are compressed into a fixed-length representation vector, in regardless of what candidate ads are. The use of fixed-length vector will be a bottleneck, which brings difficulty for Embedding\&MLP methods to capture user's diverse interests effectively from rich historical behaviors. In this paper, we propose a novel model: Deep Interest Network (DIN) which tackles this challenge by designing a local activation unit to adaptively learn the representation of user interests from historical behaviors with respect to a certain ad. This representation vector varies over different ads, improving the expressive ability of model greatly. Besides, we develop two techniques: mini-batch aware regularization and data adaptive activation function which can help training industrial deep networks with hundreds of millions of parameters. Experiments on two public datasets as well as an Alibaba real production dataset with over 2 billion samples demonstrate the effectiveness of proposed approaches, which achieve superior performance compared with state-of-the-art methods. DIN now has been successfully deployed in the online display advertising system in Alibaba, serving the main traffic.

Interpreting Black-box Machine Learning Models for High Dimensional Datasets

Deep neural networks (DNNs) have been shown to outperform traditional machine learning algorithms in a broad variety of application domains due to their effectiveness in modeling complex problems and handling high-dimensional datasets. Many real-life datasets, however, are of increasingly high dimensionality, where a large number of features may be irrelevant for both supervised and unsupervised learning tasks. The inclusion of such features would not only introduce unwanted noise but also increase computational complexity. Furthermore, due to high non-linearity and dependency among a large number of features, DNN models tend to be unavoidably opaque and perceived as black-box methods because of their not well-understood internal functioning. Their algorithmic complexity is often simply beyond the capacities of humans to understand the interplay among myriads of hyperparameters. A well-interpretable model can identify statistically significant features and explain the way they affect the model's outcome. In this paper, we propose an efficient method to improve the interpretability of black-box models for classification tasks in the case of high-dimensional datasets. First, we train a black-box model on a high-dimensional dataset to learn the embeddings on which the classification is performed. To decompose the inner working principles of the black-box model and to identify top-k important features, we employ different probing and perturbing techniques. We then approximate the behavior of the black-box model by means of an interpretable surrogate model on the top-k feature space. Finally, we derive decision rules and local explanations from the surrogate model to explain individual decisions. Our approach outperforms state-of-the-art methods like TabNet and XGboost when tested on different datasets with varying dimensionality between 50 and 20,000 w.r.t metrics and explainability.