Daily Papers

Bayesian neural learning feature a rigorous approach to estimation and uncertainty quantification via the posterior distribution of weights that represent knowledge of the neural network. This not only provides point estimates of optimal set of weights but also the ability to quantify uncertainty in decision making using the posterior distribution. Markov chain Monte Carlo (MCMC) techniques are typically used to obtain sample-based estimates of the posterior distribution. However, these techniques face challenges in convergence and scalability, particularly in settings with large datasets and network architectures. This paper address these challenges in two ways. First, parallel tempering is used used to explore multiple modes of the posterior distribution and implemented in multi-core computing architecture. Second, we make within-chain sampling schemes more efficient by using Langevin gradient information in forming Metropolis-Hastings proposal distributions. We demonstrate the techniques using time series prediction and pattern classification applications. The results show that the method not only improves the computational time, but provides better prediction or decision making capabilities when compared to related methods.

Most contemporary neural learning systems rely on epoch-based optimization and repeated access to historical data, implicitly assuming reversible computation. In contrast, real-world environments often present information as irreversible streams, where inputs cannot be replayed or revisited. Under such conditions, conventional architectures degrade into reactive filters lacking long-horizon coherence. This paper introduces Stream Neural Networks (StNN), an execution paradigm designed for irreversible input streams. StNN operates through a stream-native execution algorithm, the Stream Network Algorithm (SNA), whose fundamental unit is the stream neuron. Each stream neuron maintains a persistent temporal state that evolves continuously across inputs. We formally establish three structural guarantees: (1) stateless mappings collapse under irreversibility and cannot encode temporal dependencies; (2) persistent state dynamics remain bounded under mild activation constraints; and (3) the state transition operator is contractive for λ < 1, ensuring stable long-horizon execution. Empirical phase-space analysis and continuous tracking experiments validate these theoretical results. The execution principles introduced in this work define a minimal substrate for neural computation under irreversible streaming constraints.

This paper aims to extend the Structured Knowledge Accumulation (SKA) framework recently proposed by mahi2025ska. We introduce two core concepts: the Tensor Net function and the characteristic time property of neural learning. First, we reinterpret the learning rate as a time step in a continuous system. This transforms neural learning from discrete optimization into continuous-time evolution. We show that learning dynamics remain consistent when the product of learning rate and iteration steps stays constant. This reveals a time-invariant behavior and identifies an intrinsic timescale of the network. Second, we define the Tensor Net function as a measure that captures the relationship between decision probabilities, entropy gradients, and knowledge change. Additionally, we define its zero-crossing as the equilibrium state between decision probabilities and entropy gradients. We show that the convergence of entropy and knowledge flow provides a natural stopping condition, replacing arbitrary thresholds with an information-theoretic criterion. We also establish that SKA dynamics satisfy a variational principle based on the Euler-Lagrange equation. These findings extend SKA into a continuous and self-organizing learning model. The framework links computational learning with physical systems that evolve by natural laws. By understanding learning as a time-based process, we open new directions for building efficient, robust, and biologically-inspired AI systems.

Vertex centrality measures are a multi-purpose analysis tool, commonly used in many application environments to retrieve information and unveil knowledge from the graphs and network structural properties. However, the algorithms of such metrics are expensive in terms of computational resources when running real-time applications or massive real world networks. Thus, approximation techniques have been developed and used to compute the measures in such scenarios. In this paper, we demonstrate and analyze the use of neural network learning algorithms to tackle such task and compare their performance in terms of solution quality and computation time with other techniques from the literature. Our work offers several contributions. We highlight both the pros and cons of approximating centralities though neural learning. By empirical means and statistics, we then show that the regression model generated with a feedforward neural networks trained by the Levenberg-Marquardt algorithm is not only the best option considering computational resources, but also achieves the best solution quality for relevant applications and large-scale networks. Keywords: Vertex Centrality Measures, Neural Networks, Complex Network Models, Machine Learning, Regression Model

Learning and decision making in the brain are key processes critical to survival, and yet are processes implemented by non-ideal biological building blocks which can impose significant error. We explore quantitatively how the brain might cope with this inherent source of error by taking advantage of two ubiquitous mechanisms, redundancy and synchronization. In particular we consider a neural process whose goal is to learn a decision function by implementing a nonlinear gradient dynamics. The dynamics, however, are assumed to be corrupted by perturbations modeling the error which might be incurred due to limitations of the biology, intrinsic neuronal noise, and imperfect measurements. We show that error, and the associated uncertainty surrounding a learned solution, can be controlled in large part by trading off synchronization strength among multiple redundant neural systems against the noise amplitude. The impact of the coupling between such redundant systems is quantified by the spectrum of the network Laplacian, and we discuss the role of network topology in synchronization and in reducing the effect of noise. A range of situations in which the mechanisms we model arise in brain science are discussed, and we draw attention to experimental evidence suggesting that cortical circuits capable of implementing the computations of interest here can be found on several scales. Finally, simulations comparing theoretical bounds to the relevant empirical quantities show that the theoretical estimates we derive can be tight.

We introduce the Structured Knowledge Accumulation (SKA) framework, which reinterprets entropy as a dynamic, layer-wise measure of knowledge alignment in neural networks. Instead of relying on traditional gradient-based optimization, SKA defines entropy in terms of knowledge vectors and their influence on decision probabilities across multiple layers. This formulation naturally leads to the emergence of activation functions such as the sigmoid as a consequence of entropy minimization. Unlike conventional backpropagation, SKA allows each layer to optimize independently by aligning its knowledge representation with changes in decision probabilities. As a result, total network entropy decreases in a hierarchical manner, allowing knowledge structures to evolve progressively. This approach provides a scalable, biologically plausible alternative to gradient-based learning, bridging information theory and artificial intelligence while offering promising applications in resource-constrained and parallel computing environments.

Neural networks -- especially those that use large, pre-trained language models -- have improved search engines in various ways. Most prominently, they can estimate the relevance of a passage or document to a user's query. In this work, we depart from this direction by exploring whether neural networks can effectively predict which of a document's passages are unlikely to be relevant to any query submitted to the search engine. We refer to this query-agnostic estimation of passage relevance as a passage's quality. We find that our novel methods for estimating passage quality allow passage corpora to be pruned considerably while maintaining statistically equivalent effectiveness; our best methods can consistently prune >25% of passages in a corpora, across various retrieval pipelines. Such substantial pruning reduces the operating costs of neural search engines in terms of computing resources, power usage, and carbon footprint -- both when processing queries (thanks to a smaller index size) and when indexing (lightweight models can prune low-quality passages prior to the costly dense or learned sparse encoding step). This work sets the stage for developing more advanced neural "learning-what-to-index" methods.

Over the last decades, deep neural networks based-models became the dominant paradigm in machine learning. Further, the use of artificial neural networks in symbolic learning has been seen as increasingly relevant recently. To study the capabilities of neural networks in the symbolic AI domain, researchers have explored the ability of deep neural networks to learn mathematical constructions, such as addition and multiplication, logic inference, such as theorem provers, and even the execution of computer programs. The latter is known to be too complex a task for neural networks. Therefore, the results were not always successful, and often required the introduction of biased elements in the learning process, in addition to restricting the scope of possible programs to be executed. In this work, we will analyze the ability of neural networks to learn how to execute programs as a whole. To do so, we propose a different approach. Instead of using an imperative programming language, with complex structures, we use the Lambda Calculus (λ-Calculus), a simple, but Turing-Complete mathematical formalism, which serves as the basis for modern functional programming languages and is at the heart of computability theory. We will introduce the use of integrated neural learning and lambda calculi formalization. Finally, we explore execution of a program in λ-Calculus is based on reductions, we will show that it is enough to learn how to perform these reductions so that we can execute any program. Keywords: Machine Learning, Lambda Calculus, Neurosymbolic AI, Neural Networks, Transformer Model, Sequence-to-Sequence Models, Computational Models

We introduce a new class of spatially stochastic physics and data informed deep latent models for parametric partial differential equations (PDEs) which operate through scalable variational neural processes. We achieve this by assigning probability measures to the spatial domain, which allows us to treat collocation grids probabilistically as random variables to be marginalised out. Adapting this spatial statistics view, we solve forward and inverse problems for parametric PDEs in a way that leads to the construction of Gaussian process models of solution fields. The implementation of these random grids poses a unique set of challenges for inverse physics informed deep learning frameworks and we propose a new architecture called Grid Invariant Convolutional Networks (GICNets) to overcome these challenges. We further show how to incorporate noisy data in a principled manner into our physics informed model to improve predictions for problems where data may be available but whose measurement location does not coincide with any fixed mesh or grid. The proposed method is tested on a nonlinear Poisson problem, Burgers equation, and Navier-Stokes equations, and we provide extensive numerical comparisons. We demonstrate significant computational advantages over current physics informed neural learning methods for parametric PDEs while improving the predictive capabilities and flexibility of these models.

This paper introduces the Ubuntu Dialogue Corpus, a dataset containing almost 1 million multi-turn dialogues, with a total of over 7 million utterances and 100 million words. This provides a unique resource for research into building dialogue managers based on neural language models that can make use of large amounts of unlabeled data. The dataset has both the multi-turn property of conversations in the Dialog State Tracking Challenge datasets, and the unstructured nature of interactions from microblog services such as Twitter. We also describe two neural learning architectures suitable for analyzing this dataset, and provide benchmark performance on the task of selecting the best next response.

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.

Neuro-symbolic systems aim to combine the expressive structure of symbolic logic with the flexibility of neural learning; yet, generative models typically lack mechanisms to enforce declarative constraints at generation time. We propose Logic-Guided Vector Fields (LGVF), a neuro-symbolic framework that injects symbolic knowledge, specified as differentiable relaxations of logical constraints, into flow matching generative models. LGVF couples two complementary mechanisms: (1) a training-time logic loss that penalizes constraint violations along continuous flow trajectories, with weights that emphasize correctness near the target distribution; and (2) an inference-time adjustment that steers sampling using constraint gradients, acting as a lightweight, logic-informed correction to the learned dynamics. We evaluate LGVF on three constrained generation case studies spanning linear, nonlinear, and multi-region feasibility constraints. Across all settings, LGVF reduces constraint violations by 59-82% compared to standard flow matching and achieves the lowest violation rates in each case. In the linear and ring settings, LGVF also improves distributional fidelity as measured by MMD, while in the multi-obstacle setting, we observe a satisfaction-fidelity trade-off, with improved feasibility but increased MMD. Beyond quantitative gains, LGVF yields constraint-aware vector fields exhibiting emergent obstacle-avoidance behavior, routing samples around forbidden regions without explicit path planning.

Recent advances in semi-supervised semantic segmentation have been heavily reliant on pseudo labeling to compensate for limited labeled data, disregarding the valuable relational knowledge among semantic concepts. To bridge this gap, we devise LogicDiag, a brand new neural-logic semi-supervised learning framework. Our key insight is that conflicts within pseudo labels, identified through symbolic knowledge, can serve as strong yet commonly ignored learning signals. LogicDiag resolves such conflicts via reasoning with logic-induced diagnoses, enabling the recovery of (potentially) erroneous pseudo labels, ultimately alleviating the notorious error accumulation problem. We showcase the practical application of LogicDiag in the data-hungry segmentation scenario, where we formalize the structured abstraction of semantic concepts as a set of logic rules. Extensive experiments on three standard semi-supervised semantic segmentation benchmarks demonstrate the effectiveness and generality of LogicDiag. Moreover, LogicDiag highlights the promising opportunities arising from the systematic integration of symbolic reasoning into the prevalent statistical, neural learning approaches.

Traditional neural network approaches for traffic flow forecasting are usually single task learning (STL) models, which do not take advantage of the information provided by related tasks. In contrast to STL, multitask learning (MTL) has the potential to improve generalization by transferring information in training signals of extra tasks. In this paper, MTL based neural networks are used for traffic flow forecasting. For neural network MTL, a backpropagation (BP) network is constructed by incorporating traffic flows at several contiguous time instants into an output layer. Nodes in the output layer can be seen as outputs of different but closely related STL tasks. Comprehensive experiments on urban vehicular traffic flow data and comparisons with STL show that MTL in BP neural networks is a promising and effective approach for traffic flow forecasting.

Neural-symbolic learning, an intersection of neural networks and symbolic reasoning, aims to blend neural networks' learning capabilities with symbolic AI's interpretability and reasoning. This paper introduces an approach designed to improve the performance of neural models in learning reasoning tasks. It achieves this by integrating Answer Set Programming (ASP) solvers and domain-specific expertise, which is an approach that diverges from traditional complex neural-symbolic models. In this paper, a shallow artificial neural network (ANN) is specifically trained to solve Sudoku puzzles with minimal training data. The model has a unique loss function that integrates losses calculated using the ASP solver outputs, effectively enhancing its training efficiency. Most notably, the model shows a significant improvement in solving Sudoku puzzles using only 12 puzzles for training and testing without hyperparameter tuning. This advancement indicates that the model's enhanced reasoning capabilities have practical applications, extending well beyond Sudoku puzzles to potentially include a variety of other domains. The code can be found on GitHub: https://github.com/Fadi2200/ASPEN.

Our environment is filled with rich and dynamic acoustic information. When we walk into a cathedral, the reverberations as much as appearance inform us of the sanctuary's wide open space. Similarly, as an object moves around us, we expect the sound emitted to also exhibit this movement. While recent advances in learned implicit functions have led to increasingly higher quality representations of the visual world, there have not been commensurate advances in learning spatial auditory representations. To address this gap, we introduce Neural Acoustic Fields (NAFs), an implicit representation that captures how sounds propagate in a physical scene. By modeling acoustic propagation in a scene as a linear time-invariant system, NAFs learn to continuously map all emitter and listener location pairs to a neural impulse response function that can then be applied to arbitrary sounds. We demonstrate that the continuous nature of NAFs enables us to render spatial acoustics for a listener at an arbitrary location, and can predict sound propagation at novel locations. We further show that the representation learned by NAFs can help improve visual learning with sparse views. Finally, we show that a representation informative of scene structure emerges during the learning of NAFs.

One of the most discussed problems in the financial world is stock option pricing. The Black-Scholes Equation is a Parabolic Partial Differential Equation which provides an option pricing model. The present work proposes an approach based on Neural Networks to solve the Black-Scholes Equations. Real-world data from the stock options market were used as the initial boundary to solve the Black-Scholes Equation. In particular, times series of call options prices of Brazilian companies Petrobras and Vale were employed. The results indicate that the network can learn to solve the Black-Sholes Equation for a specific real-world stock options time series. The experimental results showed that the Neural network option pricing based on the Black-Sholes Equation solution can reach an option pricing forecasting more accurate than the traditional Black-Sholes analytical solutions. The experimental results making it possible to use this methodology to make short-term call option price forecasts in options markets.

We study both stream-based and pool-based active learning with neural network approximations. A recent line of works proposed bandit-based approaches that transformed active learning into a bandit problem, achieving both theoretical and empirical success. However, the performance and computational costs of these methods may be susceptible to the number of classes, denoted as K, due to this transformation. Therefore, this paper seeks to answer the question: "How can we mitigate the adverse impacts of K while retaining the advantages of principled exploration and provable performance guarantees in active learning?" To tackle this challenge, we propose two algorithms based on the newly designed exploitation and exploration neural networks for stream-based and pool-based active learning. Subsequently, we provide theoretical performance guarantees for both algorithms in a non-parametric setting, demonstrating a slower error-growth rate concerning K for the proposed approaches. We use extensive experiments to evaluate the proposed algorithms, which consistently outperform state-of-the-art baselines.

Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are often best described using continuous-time stochastic processes. Unfortunately, most existing structure learning approaches assume that the underlying process evolves in discrete-time and/or observations occur at regular time intervals. These mismatched assumptions can often lead to incorrect learned structures and models. In this work, we introduce a novel structure learning method, SCOTCH, which combines neural stochastic differential equations (SDE) with variational inference to infer a posterior distribution over possible structures. This continuous-time approach can naturally handle both learning from and predicting observations at arbitrary time points. Theoretically, we establish sufficient conditions for an SDE and SCOTCH to be structurally identifiable, and prove its consistency under infinite data limits. Empirically, we demonstrate that our approach leads to improved structure learning performance on both synthetic and real-world datasets compared to relevant baselines under regular and irregular sampling intervals.

Learning in strategy games (e.g. StarCraft, poker) requires the discovery of diverse policies. This is often achieved by iteratively training new policies against existing ones, growing a policy population that is robust to exploit. This iterative approach suffers from two issues in real-world games: a) under finite budget, approximate best-response operators at each iteration needs truncating, resulting in under-trained good-responses populating the population; b) repeated learning of basic skills at each iteration is wasteful and becomes intractable in the presence of increasingly strong opponents. In this work, we propose Neural Population Learning (NeuPL) as a solution to both issues. NeuPL offers convergence guarantees to a population of best-responses under mild assumptions. By representing a population of policies within a single conditional model, NeuPL enables transfer learning across policies. Empirically, we show the generality, improved performance and efficiency of NeuPL across several test domains. Most interestingly, we show that novel strategies become more accessible, not less, as the neural population expands.

The classical development of neural networks has primarily focused on learning mappings between finite dimensional Euclidean spaces or finite sets. We propose a generalization of neural networks to learn operators, termed neural operators, that map between infinite dimensional function spaces. We formulate the neural operator as a composition of linear integral operators and nonlinear activation functions. We prove a universal approximation theorem for our proposed neural operator, showing that it can approximate any given nonlinear continuous operator. The proposed neural operators are also discretization-invariant, i.e., they share the same model parameters among different discretization of the underlying function spaces. Furthermore, we introduce four classes of efficient parameterization, viz., graph neural operators, multi-pole graph neural operators, low-rank neural operators, and Fourier neural operators. An important application for neural operators is learning surrogate maps for the solution operators of partial differential equations (PDEs). We consider standard PDEs such as the Burgers, Darcy subsurface flow, and the Navier-Stokes equations, and show that the proposed neural operators have superior performance compared to existing machine learning based methodologies, while being several orders of magnitude faster than conventional PDE solvers.

We present a novel neural surface reconstruction method, called NeuS, for reconstructing objects and scenes with high fidelity from 2D image inputs. Existing neural surface reconstruction approaches, such as DVR and IDR, require foreground mask as supervision, easily get trapped in local minima, and therefore struggle with the reconstruction of objects with severe self-occlusion or thin structures. Meanwhile, recent neural methods for novel view synthesis, such as NeRF and its variants, use volume rendering to produce a neural scene representation with robustness of optimization, even for highly complex objects. However, extracting high-quality surfaces from this learned implicit representation is difficult because there are not sufficient surface constraints in the representation. In NeuS, we propose to represent a surface as the zero-level set of a signed distance function (SDF) and develop a new volume rendering method to train a neural SDF representation. We observe that the conventional volume rendering method causes inherent geometric errors (i.e. bias) for surface reconstruction, and therefore propose a new formulation that is free of bias in the first order of approximation, thus leading to more accurate surface reconstruction even without the mask supervision. Experiments on the DTU dataset and the BlendedMVS dataset show that NeuS outperforms the state-of-the-arts in high-quality surface reconstruction, especially for objects and scenes with complex structures and self-occlusion.

In nature, symmetry governs regularities, while symmetry breaking brings texture. In artificial neural networks, symmetry has been a central design principle to efficiently capture regularities in the world, but the role of symmetry breaking is not well understood. Here, we develop a theoretical framework to study the "geometry of learning dynamics" in neural networks, and reveal a key mechanism of explicit symmetry breaking behind the efficiency and stability of modern neural networks. To build this understanding, we model the discrete learning dynamics of gradient descent using a continuous-time Lagrangian formulation, in which the learning rule corresponds to the kinetic energy and the loss function corresponds to the potential energy. Then, we identify "kinetic symmetry breaking" (KSB), the condition when the kinetic energy explicitly breaks the symmetry of the potential function. We generalize Noether's theorem known in physics to take into account KSB and derive the resulting motion of the Noether charge: "Noether's Learning Dynamics" (NLD). Finally, we apply NLD to neural networks with normalization layers and reveal how KSB introduces a mechanism of "implicit adaptive optimization", establishing an analogy between learning dynamics induced by normalization layers and RMSProp. Overall, through the lens of Lagrangian mechanics, we have established a theoretical foundation to discover geometric design principles for the learning dynamics of neural networks.

Motivated by the recent progresses on machine learning-based models that learn artistic styles, in this paper we focus on the problem of poem generation. This is a challenging task in which the machine has to capture the linguistic features that strongly characterize a certain poet, as well as the semantics of the poet's production, that are influenced by his personal experiences and by his literary background. Since poetry is constructed using syllables, that regulate the form and structure of poems, we propose a syllable-based neural language model, and we describe a poem generation mechanism that is designed around the poet style, automatically selecting the most representative generations. The poetic work of a target author is usually not enough to successfully train modern deep neural networks, so we propose a multi-stage procedure that exploits non-poetic works of the same author, and also other publicly available huge corpora to learn syntax and grammar of the target language. We focus on the Italian poet Dante Alighieri, widely famous for his Divine Comedy. A quantitative and qualitative experimental analysis of the generated tercets is reported, where we included expert judges with strong background in humanistic studies. The generated tercets are frequently considered to be real by a generic population of judges, with relative difference of 56.25\% with respect to the ones really authored by Dante, and expert judges perceived Dante's style and rhymes in the generated text.

Cognitive neuroscience is enjoying rapid increase in extensive public brain-imaging datasets. It opens the door to large-scale statistical models. Finding a unified perspective for all available data calls for scalable and automated solutions to an old challenge: how to aggregate heterogeneous information on brain function into a universal cognitive system that relates mental operations/cognitive processes/psychological tasks to brain networks? We cast this challenge in a machine-learning approach to predict conditions from statistical brain maps across different studies. For this, we leverage multi-task learning and multi-scale dimension reduction to learn low-dimensional representations of brain images that carry cognitive information and can be robustly associated with psychological stimuli. Our multi-dataset classification model achieves the best prediction performance on several large reference datasets, compared to models without cognitive-aware low-dimension representations, it brings a substantial performance boost to the analysis of small datasets, and can be introspected to identify universal template cognitive concepts.

We present an approach for agents to learn representations of a global map from sensor data, to aid their exploration in new environments. To achieve this, we embed procedures mimicking that of traditional Simultaneous Localization and Mapping (SLAM) into the soft attention based addressing of external memory architectures, in which the external memory acts as an internal representation of the environment. This structure encourages the evolution of SLAM-like behaviors inside a completely differentiable deep neural network. We show that this approach can help reinforcement learning agents to successfully explore new environments where long-term memory is essential. We validate our approach in both challenging grid-world environments and preliminary Gazebo experiments. A video of our experiments can be found at: https://goo.gl/G2Vu5y.

Deep neural networks with millions of parameters are at the heart of many state of the art machine learning models today. However, recent works have shown that models with much smaller number of parameters can also perform just as well. In this work, we introduce the problem of architecture-learning, i.e; learning the architecture of a neural network along with weights. We introduce a new trainable parameter called tri-state ReLU, which helps in eliminating unnecessary neurons. We also propose a smooth regularizer which encourages the total number of neurons after elimination to be small. The resulting objective is differentiable and simple to optimize. We experimentally validate our method on both small and large networks, and show that it can learn models with a considerably small number of parameters without affecting prediction accuracy.

Category-level 3D/6D pose estimation is a crucial step towards comprehensive 3D scene understanding, which would enable a broad range of applications in robotics and embodied AI. Recent works explored neural mesh models that approach a range of 2D and 3D tasks from an analysis-by-synthesis perspective. Despite the largely enhanced robustness to partial occlusion and domain shifts, these methods depended heavily on 3D annotations for part-contrastive learning, which confines them to a narrow set of categories and hinders efficient scaling. In this work, we present DINeMo, a novel neural mesh model that is trained with no 3D annotations by leveraging pseudo-correspondence obtained from large visual foundation models. We adopt a bidirectional pseudo-correspondence generation method, which produce pseudo correspondence utilize both local appearance features and global context information. Experimental results on car datasets demonstrate that our DINeMo outperforms previous zero- and few-shot 3D pose estimation by a wide margin, narrowing the gap with fully-supervised methods by 67.3%. Our DINeMo also scales effectively and efficiently when incorporating more unlabeled images during training, which demonstrate the advantages over supervised learning methods that rely on 3D annotations. Our project page is available at https://analysis-by-synthesis.github.io/DINeMo/.

Data-driven methods such as reinforcement and imitation learning have achieved remarkable success in robot autonomy. However, their data-centric nature still hinders them from generalizing well to ever-changing environments. Moreover, collecting large datasets for robotic tasks is often impractical and expensive. To overcome these challenges, we introduce a new self-supervised neural-symbolic (NeSy) computational framework, imperative learning (IL), for robot autonomy, leveraging the generalization abilities of symbolic reasoning. The framework of IL consists of three primary components: a neural module, a reasoning engine, and a memory system. We formulate IL as a special bilevel optimization (BLO), which enables reciprocal learning over the three modules. This overcomes the label-intensive obstacles associated with data-driven approaches and takes advantage of symbolic reasoning concerning logical reasoning, physical principles, geometric analysis, etc. We discuss several optimization techniques for IL and verify their effectiveness in five distinct robot autonomy tasks including path planning, rule induction, optimal control, visual odometry, and multi-robot routing. Through various experiments, we show that IL can significantly enhance robot autonomy capabilities and we anticipate that it will catalyze further research across diverse domains.

The goal of few-shot learning is to generalize and achieve high performance on new unseen learning tasks, where each task has only a limited number of examples available. Gradient-based meta-learning attempts to address this challenging task by learning how to learn new tasks by embedding inductive biases informed by prior learning experiences into the components of the learning algorithm. In this work, we build upon prior research and propose Neural Procedural Bias Meta-Learning (NPBML), a novel framework designed to meta-learn task-adaptive procedural biases. Our approach aims to consolidate recent advancements in meta-learned initializations, optimizers, and loss functions by learning them simultaneously and making them adapt to each individual task to maximize the strength of the learned inductive biases. This imbues each learning task with a unique set of procedural biases which is specifically designed and selected to attain strong learning performance in only a few gradient steps. The experimental results show that by meta-learning the procedural biases of a neural network, we can induce strong inductive biases towards a distribution of learning tasks, enabling robust learning performance across many well-established few-shot learning benchmarks.

We introduce a novel neural volumetric pose feature, termed PoseMap, designed to enhance camera localization by encapsulating the information between images and the associated camera poses. Our framework leverages an Absolute Pose Regression (APR) architecture, together with an augmented NeRF module. This integration not only facilitates the generation of novel views to enrich the training dataset but also enables the learning of effective pose features. Additionally, we extend our architecture for self-supervised online alignment, allowing our method to be used and fine-tuned for unlabelled images within a unified framework. Experiments demonstrate that our method achieves 14.28% and 20.51% performance gain on average in indoor and outdoor benchmark scenes, outperforming existing APR methods with state-of-the-art accuracy.

Recently, there has been an increased interest in NeRF methods which reconstruct differentiable representation of three-dimensional scenes. One of the main limitations of such methods is their inability to assess the confidence of the model in its predictions. In this paper, we propose a new neural network model for the formation of extended vector representations, called uSF, which allows the model to predict not only color and semantic label of each point, but also estimate the corresponding values of uncertainty. We show that with a small number of images available for training, a model quantifying uncertainty performs better than a model without such functionality. Code of the uSF approach is publicly available at https://github.com/sevashasla/usf/.

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.

Scientific Machine Learning (SciML) is concerned with the development of learned emulators of physical systems governed by partial differential equations (PDE). In application domains such as weather forecasting, molecular dynamics, and inverse design, ML-based surrogate models are increasingly used to augment or replace inefficient and often non-differentiable numerical simulation algorithms. While a number of ML-based methods for approximating the solutions of PDEs have been proposed in recent years, they typically do not adapt to the parameters of the PDEs, making it difficult to generalize to PDE parameters not seen during training. We propose a Channel Attention mechanism guided by PDE Parameter Embeddings (CAPE) component for neural surrogate models and a simple yet effective curriculum learning strategy. The CAPE module can be combined with neural PDE solvers allowing them to adapt to unseen PDE parameters. The curriculum learning strategy provides a seamless transition between teacher-forcing and fully auto-regressive training. We compare CAPE in conjunction with the curriculum learning strategy using a popular PDE benchmark and obtain consistent and significant improvements over the baseline models. The experiments also show several advantages of CAPE, such as its increased ability to generalize to unseen PDE parameters without large increases inference time and parameter count.

Unsupervised semantic segmentation is a long-standing challenge in computer vision with great significance. Spectral clustering is a theoretically grounded solution to it where the spectral embeddings for pixels are computed to construct distinct clusters. Despite recent progress in enhancing spectral clustering with powerful pre-trained models, current approaches still suffer from inefficiencies in spectral decomposition and inflexibility in applying them to the test data. This work addresses these issues by casting spectral clustering as a parametric approach that employs neural network-based eigenfunctions to produce spectral embeddings. The outputs of the neural eigenfunctions are further restricted to discrete vectors that indicate clustering assignments directly. As a result, an end-to-end NN-based paradigm of spectral clustering emerges. In practice, the neural eigenfunctions are lightweight and take the features from pre-trained models as inputs, improving training efficiency and unleashing the potential of pre-trained models for dense prediction. We conduct extensive empirical studies to validate the effectiveness of our approach and observe significant performance gains over competitive baselines on Pascal Context, Cityscapes, and ADE20K benchmarks.

Recent progress in neural implicit functions has set new state-of-the-art in reconstructing high-fidelity 3D shapes from a collection of images. However, these approaches are limited to closed surfaces as they require the surface to be represented by a signed distance field. In this paper, we propose NeAT, a new neural rendering framework that can learn implicit surfaces with arbitrary topologies from multi-view images. In particular, NeAT represents the 3D surface as a level set of a signed distance function (SDF) with a validity branch for estimating the surface existence probability at the query positions. We also develop a novel neural volume rendering method, which uses SDF and validity to calculate the volume opacity and avoids rendering points with low validity. NeAT supports easy field-to-mesh conversion using the classic Marching Cubes algorithm. Extensive experiments on DTU, MGN, and Deep Fashion 3D datasets indicate that our approach is able to faithfully reconstruct both watertight and non-watertight surfaces. In particular, NeAT significantly outperforms the state-of-the-art methods in the task of open surface reconstruction both quantitatively and qualitatively.

We propose a novel 3D morphable model for complete human heads based on hybrid neural fields. At the core of our model lies a neural parametric representation that disentangles identity and expressions in disjoint latent spaces. To this end, we capture a person's identity in a canonical space as a signed distance field (SDF), and model facial expressions with a neural deformation field. In addition, our representation achieves high-fidelity local detail by introducing an ensemble of local fields centered around facial anchor points. To facilitate generalization, we train our model on a newly-captured dataset of over 5200 head scans from 255 different identities using a custom high-end 3D scanning setup. Our dataset significantly exceeds comparable existing datasets, both with respect to quality and completeness of geometry, averaging around 3.5M mesh faces per scan. Finally, we demonstrate that our approach outperforms state-of-the-art methods in terms of fitting error and reconstruction quality.

Learning to play optimally against any mixture over a diverse set of strategies is of important practical interests in competitive games. In this paper, we propose simplex-NeuPL that satisfies two desiderata simultaneously: i) learning a population of strategically diverse basis policies, represented by a single conditional network; ii) using the same network, learn best-responses to any mixture over the simplex of basis policies. We show that the resulting conditional policies incorporate prior information about their opponents effectively, enabling near optimal returns against arbitrary mixture policies in a game with tractable best-responses. We verify that such policies behave Bayes-optimally under uncertainty and offer insights in using this flexibility at test time. Finally, we offer evidence that learning best-responses to any mixture policies is an effective auxiliary task for strategic exploration, which, by itself, can lead to more performant populations.

Neural fields have gained significant attention in the computer vision community due to their excellent performance in novel view synthesis, geometry reconstruction, and generative modeling. Some of their advantages are a sound theoretic foundation and an easy implementation in current deep learning frameworks. While neural fields have been applied to signals on manifolds, e.g., for texture reconstruction, their representation has been limited to extrinsically embedding the shape into Euclidean space. The extrinsic embedding ignores known intrinsic manifold properties and is inflexible wrt. transfer of the learned function. To overcome these limitations, this work introduces intrinsic neural fields, a novel and versatile representation for neural fields on manifolds. Intrinsic neural fields combine the advantages of neural fields with the spectral properties of the Laplace-Beltrami operator. We show theoretically that intrinsic neural fields inherit many desirable properties of the extrinsic neural field framework but exhibit additional intrinsic qualities, like isometry invariance. In experiments, we show intrinsic neural fields can reconstruct high-fidelity textures from images with state-of-the-art quality and are robust to the discretization of the underlying manifold. We demonstrate the versatility of intrinsic neural fields by tackling various applications: texture transfer between deformed shapes & different shapes, texture reconstruction from real-world images with view dependence, and discretization-agnostic learning on meshes and point clouds.

Deep learning (DL) has proven to be a highly effective approach for developing models in diverse contexts, including visual perception, speech recognition, and machine translation. However, the end-to-end process for applying DL is not trivial. It requires grappling with problem formulation and context understanding, data engineering, model development, deployment, continuous monitoring and maintenance, and so on. Moreover, each of these steps typically relies heavily on humans, in terms of both knowledge and interactions, which impedes the further advancement and democratization of DL. Consequently, in response to these issues, a new field has emerged over the last few years: automated deep learning (AutoDL). This endeavor seeks to minimize the need for human involvement and is best known for its achievements in neural architecture search (NAS), a topic that has been the focus of several surveys. That stated, NAS is not the be-all and end-all of AutoDL. Accordingly, this review adopts an overarching perspective, examining research efforts into automation across the entirety of an archetypal DL workflow. In so doing, this work also proposes a comprehensive set of ten criteria by which to assess existing work in both individual publications and broader research areas. These criteria are: novelty, solution quality, efficiency, stability, interpretability, reproducibility, engineering quality, scalability, generalizability, and eco-friendliness. Thus, ultimately, this review provides an evaluative overview of AutoDL in the early 2020s, identifying where future opportunities for progress may exist.

Though recent end-to-end neural models have shown promising progress on Conversational Recommender System (CRS), two key challenges still remain. First, the recommended items cannot be always incorporated into the generated replies precisely and appropriately. Second, only the items mentioned in the training corpus have a chance to be recommended in the conversation. To tackle these challenges, we introduce a novel framework called NTRD for recommender dialogue system that decouples the dialogue generation from the item recommendation. NTRD has two key components, i.e., response template generator and item selector. The former adopts an encoder-decoder model to generate a response template with slot locations tied to target items, while the latter fills in slot locations with the proper items using a sufficient attention mechanism. Our approach combines the strengths of both classical slot filling approaches (that are generally controllable) and modern neural NLG approaches (that are generally more natural and accurate). Extensive experiments on the benchmark ReDial show our NTRD significantly outperforms the previous state-of-the-art methods. Besides, our approach has the unique advantage to produce novel items that do not appear in the training set of dialogue corpus. The code is available at https://github.com/jokieleung/NTRD.

Discovering causal structures from data is a challenging inference problem of fundamental importance in all areas of science. The appealing properties of neural networks have recently led to a surge of interest in differentiable neural network-based methods for learning causal structures from data. So far, differentiable causal discovery has focused on static datasets of observational or fixed interventional origin. In this work, we introduce an active intervention targeting (AIT) method which enables a quick identification of the underlying causal structure of the data-generating process. Our method significantly reduces the required number of interactions compared with random intervention targeting and is applicable for both discrete and continuous optimization formulations of learning the underlying directed acyclic graph (DAG) from data. We examine the proposed method across multiple frameworks in a wide range of settings and demonstrate superior performance on multiple benchmarks from simulated to real-world data.

The problem of automatically generating a computer program from some specification has been studied since the early days of AI. Recently, two competing approaches for automatic program learning have received significant attention: (1) neural program synthesis, where a neural network is conditioned on input/output (I/O) examples and learns to generate a program, and (2) neural program induction, where a neural network generates new outputs directly using a latent program representation. Here, for the first time, we directly compare both approaches on a large-scale, real-world learning task. We additionally contrast to rule-based program synthesis, which uses hand-crafted semantics to guide the program generation. Our neural models use a modified attention RNN to allow encoding of variable-sized sets of I/O pairs. Our best synthesis model achieves 92% accuracy on a real-world test set, compared to the 34% accuracy of the previous best neural synthesis approach. The synthesis model also outperforms a comparable induction model on this task, but we more importantly demonstrate that the strength of each approach is highly dependent on the evaluation metric and end-user application. Finally, we show that we can train our neural models to remain very robust to the type of noise expected in real-world data (e.g., typos), while a highly-engineered rule-based system fails entirely.

In this paper, we propose a new deep learning approach, called neural association model (NAM), for probabilistic reasoning in artificial intelligence. We propose to use neural networks to model association between any two events in a domain. Neural networks take one event as input and compute a conditional probability of the other event to model how likely these two events are to be associated. The actual meaning of the conditional probabilities varies between applications and depends on how the models are trained. In this work, as two case studies, we have investigated two NAM structures, namely deep neural networks (DNN) and relation-modulated neural nets (RMNN), on several probabilistic reasoning tasks in AI, including recognizing textual entailment, triple classification in multi-relational knowledge bases and commonsense reasoning. Experimental results on several popular datasets derived from WordNet, FreeBase and ConceptNet have all demonstrated that both DNNs and RMNNs perform equally well and they can significantly outperform the conventional methods available for these reasoning tasks. Moreover, compared with DNNs, RMNNs are superior in knowledge transfer, where a pre-trained model can be quickly extended to an unseen relation after observing only a few training samples. To further prove the effectiveness of the proposed models, in this work, we have applied NAMs to solving challenging Winograd Schema (WS) problems. Experiments conducted on a set of WS problems prove that the proposed models have the potential for commonsense reasoning.

Recently, Neural Radiance Fields (NeRF) has exhibited significant success in novel view synthesis, surface reconstruction, etc. However, since no physical reflection is considered in its rendering pipeline, NeRF mistakes the reflection in the mirror as a separate virtual scene, leading to the inaccurate reconstruction of the mirror and multi-view inconsistent reflections in the mirror. In this paper, we present a novel neural rendering framework, named Mirror-NeRF, which is able to learn accurate geometry and reflection of the mirror and support various scene manipulation applications with mirrors, such as adding new objects or mirrors into the scene and synthesizing the reflections of these new objects in mirrors, controlling mirror roughness, etc. To achieve this goal, we propose a unified radiance field by introducing the reflection probability and tracing rays following the light transport model of Whitted Ray Tracing, and also develop several techniques to facilitate the learning process. Experiments and comparisons on both synthetic and real datasets demonstrate the superiority of our method. The code and supplementary material are available on the project webpage: https://zju3dv.github.io/Mirror-NeRF/.

Graph Neural Networks (GNNs) have been widely adopted for drug discovery with molecular graphs. Nevertheless, current GNNs are mainly good at leveraging short-range interactions (SRI) but struggle to capture long-range interactions (LRI), both of which are crucial for determining molecular properties. To tackle this issue, we propose a method that implicitly projects all original atoms into a few Neural Atoms, which abstracts the collective information of atomic groups within a molecule. Specifically, we explicitly exchange the information among neural atoms and project them back to the atoms' representations as an enhancement. With this mechanism, neural atoms establish the communication channels among distant nodes, effectively reducing the interaction scope of arbitrary node pairs into a single hop. To provide an inspection of our method from a physical perspective, we reveal its connection with the traditional LRI calculation method, Ewald Summation. We conduct extensive experiments on three long-range graph benchmarks, covering both graph-level and link-level tasks on molecular graphs. We empirically justify that our method can be equipped with an arbitrary GNN and help to capture LRI.

Participating in efforts to endow generative AI with the 3D physical world perception, we propose I2-NeRF, a novel neural radiance field framework that enhances isometric and isotropic metric perception under media degradation. While existing NeRF models predominantly rely on object-centric sampling, I2-NeRF introduces a reverse-stratified upsampling strategy to achieve near-uniform sampling across 3D space, thereby preserving isometry. We further present a general radiative formulation for media degradation that unifies emission, absorption, and scattering into a particle model governed by the Beer-Lambert attenuation law. By composing the direct and media-induced in-scatter radiance, this formulation extends naturally to complex media environments such as underwater, haze, and even low-light scenes. By treating light propagation uniformly in both vertical and horizontal directions, I2-NeRF enables isotropic metric perception and can even estimate medium properties such as water depth. Experiments on real-world datasets demonstrate that our method significantly improves both reconstruction fidelity and physical plausibility compared to existing approaches.

Existing neural active learning algorithms have aimed to optimize the predictive performance of neural networks (NNs) by selecting data for labelling. However, other than a good predictive performance, being robust against random parameter initializations is also a crucial requirement in safety-critical applications. To this end, we introduce our expected variance with Gaussian processes (EV-GP) criterion for neural active learning, which is theoretically guaranteed to select data points which lead to trained NNs with both (a) good predictive performances and (b) initialization robustness. Importantly, our EV-GP criterion is training-free, i.e., it does not require any training of the NN during data selection, which makes it computationally efficient. We empirically demonstrate that our EV-GP criterion is highly correlated with both initialization robustness and generalization performance, and show that it consistently outperforms baseline methods in terms of both desiderata, especially in situations with limited initial data or large batch sizes.

Fourier Neural Operators (FNOs) have proven to be an efficient and effective method for resolution-independent operator learning in a broad variety of application areas across scientific machine learning. A key reason for their success is their ability to accurately model long-range dependencies in spatio-temporal data by learning global convolutions in a computationally efficient manner. To this end, FNOs rely on the discrete Fourier transform (DFT), however, DFTs cause visual and spectral artifacts as well as pronounced dissipation when learning operators in spherical coordinates since they incorrectly assume a flat geometry. To overcome this limitation, we generalize FNOs on the sphere, introducing Spherical FNOs (SFNOs) for learning operators on spherical geometries. We apply SFNOs to forecasting atmospheric dynamics, and demonstrate stable auto\-regressive rollouts for a year of simulated time (1,460 steps), while retaining physically plausible dynamics. The SFNO has important implications for machine learning-based simulation of climate dynamics that could eventually help accelerate our response to climate change.

Numerical simulations in climate, chemistry, or astrophysics are computationally too expensive for uncertainty quantification or parameter-exploration at high-resolution. Reduced-order or surrogate models are multiple orders of magnitude faster, but traditional surrogates are inflexible or inaccurate and pure machine learning (ML)-based surrogates too data-hungry. We propose a hybrid, flexible surrogate model that exploits known physics for simulating large-scale dynamics and limits learning to the hard-to-model term, which is called parametrization or closure and captures the effect of fine- onto large-scale dynamics. Leveraging neural operators, we are the first to learn grid-independent, non-local, and flexible parametrizations. Our multiscale neural operator is motivated by a rich literature in multiscale modeling, has quasilinear runtime complexity, is more accurate or flexible than state-of-the-art parametrizations and demonstrated on the chaotic equation multiscale Lorenz96.

This work targets at using a general deep learning framework to synthesize free-viewpoint images of arbitrary human performers, only requiring a sparse number of camera views as inputs and skirting per-case fine-tuning. The large variation of geometry and appearance, caused by articulated body poses, shapes and clothing types, are the key bottlenecks of this task. To overcome these challenges, we present a simple yet powerful framework, named Generalizable Neural Performer (GNR), that learns a generalizable and robust neural body representation over various geometry and appearance. Specifically, we compress the light fields for novel view human rendering as conditional implicit neural radiance fields from both geometry and appearance aspects. We first introduce an Implicit Geometric Body Embedding strategy to enhance the robustness based on both parametric 3D human body model and multi-view images hints. We further propose a Screen-Space Occlusion-Aware Appearance Blending technique to preserve the high-quality appearance, through interpolating source view appearance to the radiance fields with a relax but approximate geometric guidance. To evaluate our method, we present our ongoing effort of constructing a dataset with remarkable complexity and diversity. The dataset GeneBody-1.0, includes over 360M frames of 370 subjects under multi-view cameras capturing, performing a large variety of pose actions, along with diverse body shapes, clothing, accessories and hairdos. Experiments on GeneBody-1.0 and ZJU-Mocap show better robustness of our methods than recent state-of-the-art generalizable methods among all cross-dataset, unseen subjects and unseen poses settings. We also demonstrate the competitiveness of our model compared with cutting-edge case-specific ones. Dataset, code and model will be made publicly available.

Human shape estimation has become increasingly important both theoretically and practically, for instance, in 3D mesh estimation, distance garment production and computational forensics, to mention just a few examples. As a further specialization, Human Body Dimensions Estimation (HBDE) focuses on estimating human body measurements like shoulder width or chest circumference from images or 3D meshes usually using supervised learning approaches. The main obstacle in this context is the data scarcity problem, as collecting this ground truth requires expensive and difficult procedures. This obstacle can be overcome by obtaining realistic human measurements from 3D human meshes. However, a) there are no well established methods to calculate HBDs from 3D meshes and b) there are no benchmarks to fairly compare results on the HBDE task. Our contribution is twofold. On the one hand, we present a method to calculate right and left arm length, shoulder width, and inseam (crotch height) from 3D meshes with focus on potential medical, virtual try-on and distance tailoring applications. On the other hand, we use four additional body dimensions calculated using recently published methods to assemble a set of eight body dimensions which we use as a supervision signal to our Neural Anthropometer: a convolutional neural network capable of estimating these dimensions. To assess the estimation, we train the Neural Anthropometer with synthetic images of 3D meshes, from which we calculated the HBDs and observed that the network's overall mean estimate error is 20.89 mm (relative error of 2.84\%). The results we present are fully reproducible and establish a fair baseline for research on the task of HBDE, therefore enabling the community with a valuable method.

The latest Deep Learning (DL) models for detection and classification have achieved an unprecedented performance over classical machine learning algorithms. However, DL models are black-box methods hard to debug, interpret, and certify. DL alone cannot provide explanations that can be validated by a non technical audience. In contrast, symbolic AI systems that convert concepts into rules or symbols -- such as knowledge graphs -- are easier to explain. However, they present lower generalisation and scaling capabilities. A very important challenge is to fuse DL representations with expert knowledge. One way to address this challenge, as well as the performance-explainability trade-off is by leveraging the best of both streams without obviating domain expert knowledge. We tackle such problem by considering the symbolic knowledge is expressed in form of a domain expert knowledge graph. We present the eXplainable Neural-symbolic learning (X-NeSyL) methodology, designed to learn both symbolic and deep representations, together with an explainability metric to assess the level of alignment of machine and human expert explanations. The ultimate objective is to fuse DL representations with expert domain knowledge during the learning process to serve as a sound basis for explainability. X-NeSyL methodology involves the concrete use of two notions of explanation at inference and training time respectively: 1) EXPLANet: Expert-aligned eXplainable Part-based cLAssifier NETwork Architecture, a compositional CNN that makes use of symbolic representations, and 2) SHAP-Backprop, an explainable AI-informed training procedure that guides the DL process to align with such symbolic representations in form of knowledge graphs. We showcase X-NeSyL methodology using MonuMAI dataset for monument facade image classification, and demonstrate that our approach improves explainability and performance.

Recurrent Neural Networks (RNNs) are popular models of brain function. The typical training strategy is to adjust their input-output behavior so that it matches that of the biological circuit of interest. Even though this strategy ensures that the biological and artificial networks perform the same computational task, it does not guarantee that their internal activity dynamics match. This suggests that the trained RNNs might end up performing the task employing a different internal computational mechanism, which would make them a suboptimal model of the biological circuit. In this work, we introduce a novel training strategy that allows learning not only the input-output behavior of an RNN but also its internal network dynamics, based on sparse neural recordings. We test the proposed method by training an RNN to simultaneously reproduce internal dynamics and output signals of a physiologically-inspired neural model. Specifically, this model generates the multiphasic muscle-like activity patterns typically observed during the execution of reaching movements, based on the oscillatory activation patterns concurrently observed in the motor cortex. Remarkably, we show that the reproduction of the internal dynamics is successful even when the training algorithm relies on the activities of a small subset of neurons sampled from the biological network. Furthermore, we show that training the RNNs with this method significantly improves their generalization performance. Overall, our results suggest that the proposed method is suitable for building powerful functional RNN models, which automatically capture important computational properties of the biological circuit of interest from sparse neural recordings.

The current work addresses quantum machine learning in the context of Quantum Artificial Neural Networks such that the networks' processing is divided in two stages: the learning stage, where the network converges to a specific quantum circuit, and the backpropagation stage where the network effectively works as a self-programing quantum computing system that selects the quantum circuits to solve computing problems. The results are extended to general architectures including recurrent networks that interact with an environment, coupling with it in the neural links' activation order, and self-organizing in a dynamical regime that intermixes patterns of dynamical stochasticity and persistent quasiperiodic dynamics, making emerge a form of noise resilient dynamical record.

We introduce a two-stage self-supervised framework that combines the Joint-Embedding Predictive Architecture (JEPA) with a Density Adaptive Attention Mechanism (DAAM) for learning robust speech representations. Stage~1 uses JEPA with DAAM to learn semantic audio features via masked prediction in latent space, fully decoupled from waveform reconstruction. Stage~2 leverages these representations for efficient tokenization using Finite Scalar Quantization (FSQ) and a mixed-radix packing scheme, followed by high-fidelity waveform reconstruction with a HiFi-GAN decoder. By integrating Gaussian mixture-based density-adaptive gating into the JEPA encoder, the model performs adaptive temporal feature selection and discovers hierarchical speech structure at a low frame rate of 2.5~Hz. The resulting tokens (47.5 tokens/sec) provide a reversible, highly compressed, and language-model-friendly representation that is competitive with, and often more efficient than, existing neural audio codecs.

How can we make sense of large-scale recordings of neural activity across learning? Theories of neural network learning with their origins in statistical physics offer a potential answer: for a given task, there are often a small set of summary statistics that are sufficient to predict performance as the network learns. Here, we review recent advances in how summary statistics can be used to build theoretical understanding of neural network learning. We then argue for how this perspective can inform the analysis of neural data, enabling better understanding of learning in biological and artificial neural networks.

This paper studies the properties of solutions to multi-task shallow ReLU neural network learning problems, wherein the network is trained to fit a dataset with minimal sum of squared weights. Remarkably, the solutions learned for each individual task resemble those obtained by solving a kernel regression problem, revealing a novel connection between neural networks and kernel methods. It is known that single-task neural network learning problems are equivalent to a minimum norm interpolation problem in a non-Hilbertian Banach space, and that the solutions of such problems are generally non-unique. In contrast, we prove that the solutions to univariate-input, multi-task neural network interpolation problems are almost always unique, and coincide with the solution to a minimum-norm interpolation problem in a Sobolev (Reproducing Kernel) Hilbert Space. We also demonstrate a similar phenomenon in the multivariate-input case; specifically, we show that neural network learning problems with large numbers of tasks are approximately equivalent to an ell^2 (Hilbert space) minimization problem over a fixed kernel determined by the optimal neurons.

Implicit Neural Representations (INRs) have recently gained attention as a powerful approach for continuously representing signals such as images, videos, and 3D shapes using multilayer perceptrons (MLPs). However, MLPs are known to exhibit a low-frequency bias, limiting their ability to capture high-frequency details accurately. This limitation is typically addressed by incorporating high-frequency input embeddings or specialized activation layers. In this work, we demonstrate that these embeddings and activations are often configured with hyperparameters that perform well on average but are suboptimal for specific input signals under consideration, necessitating a costly grid search to identify optimal settings. Our key observation is that the initial frequency spectrum of an untrained model's output correlates strongly with the model's eventual performance on a given target signal. Leveraging this insight, we propose frequency shifting (or FreSh), a method that selects embedding hyperparameters to align the frequency spectrum of the model's initial output with that of the target signal. We show that this simple initialization technique improves performance across various neural representation methods and tasks, achieving results comparable to extensive hyperparameter sweeps but with only marginal computational overhead compared to training a single model with default hyperparameters.

Simulating physical systems governed by Lagrangian dynamics often entails solving partial differential equations (PDEs) over high-resolution spatial domains, leading to significant computational expense. Reduced-order modeling (ROM) mitigates this cost by evolving low-dimensional latent representations of the underlying system. While neural ROMs enable querying solutions from latent states at arbitrary spatial points, their latent states typically represent the global domain and struggle to capture localized, highly dynamic behaviors such as fluids. We propose a sampling-based reduction framework that evolves Lagrangian systems directly in physical space over the particles themselves, reducing the number of active degrees of freedom via data-driven neural PDE operators. To enable querying at arbitrary spatial locations, we introduce a learnable kernel parameterization that uses local spatial information from time-evolved sample particles to infer the underlying solution manifold. Empirically, our approach achieves a 6.6x to 32x reduction in input dimensionality while maintaining high-fidelity evaluations across diverse Lagrangian regimes, including fluid flows, granular media, and elastoplastic dynamics. We refer to this framework as GIOROM (Geometry-Informed Reduced-Order Modeling). All code and data are available at: https://github.com/HrishikeshVish/GIOROM

Deciphering visual content from functional Magnetic Resonance Imaging (fMRI) helps illuminate the human vision system. However, the scarcity of fMRI data and noise hamper brain decoding model performance. Previous approaches primarily employ subject-specific models, sensitive to training sample size. In this paper, we explore a straightforward but overlooked solution to address data scarcity. We propose shallow subject-specific adapters to map cross-subject fMRI data into unified representations. Subsequently, a shared deeper decoding model decodes cross-subject features into the target feature space. During training, we leverage both visual and textual supervision for multi-modal brain decoding. Our model integrates a high-level perception decoding pipeline and a pixel-wise reconstruction pipeline guided by high-level perceptions, simulating bottom-up and top-down processes in neuroscience. Empirical experiments demonstrate robust neural representation learning across subjects for both pipelines. Moreover, merging high-level and low-level information improves both low-level and high-level reconstruction metrics. Additionally, we successfully transfer learned general knowledge to new subjects by training new adapters with limited training data. Compared to previous state-of-the-art methods, notably pre-training-based methods (Mind-Vis and fMRI-PTE), our approach achieves comparable or superior results across diverse tasks, showing promise as an alternative method for cross-subject fMRI data pre-training. Our code and pre-trained weights will be publicly released at https://github.com/YulongBonjour/See_Through_Their_Minds.

Current high-performance semantic segmentation models are purely data-driven sub-symbolic approaches and blind to the structured nature of the visual world. This is in stark contrast to human cognition which abstracts visual perceptions at multiple levels and conducts symbolic reasoning with such structured abstraction. To fill these fundamental gaps, we devise LOGICSEG, a holistic visual semantic parser that integrates neural inductive learning and logic reasoning with both rich data and symbolic knowledge. In particular, the semantic concepts of interest are structured as a hierarchy, from which a set of constraints are derived for describing the symbolic relations and formalized as first-order logic rules. After fuzzy logic-based continuous relaxation, logical formulae are grounded onto data and neural computational graphs, hence enabling logic-induced network training. During inference, logical constraints are packaged into an iterative process and injected into the network in a form of several matrix multiplications, so as to achieve hierarchy-coherent prediction with logic reasoning. These designs together make LOGICSEG a general and compact neural-logic machine that is readily integrated into existing segmentation models. Extensive experiments over four datasets with various segmentation models and backbones verify the effectiveness and generality of LOGICSEG. We believe this study opens a new avenue for visual semantic parsing.

Self-supervised neural language models have recently achieved unprecedented success, from natural language processing to learning the languages of biological sequences and organic molecules. These models have demonstrated superior performance in the generation, structure classification, and functional predictions for proteins and molecules with learned representations. However, most of the masking-based pre-trained language models are not designed for generative design, and their black-box nature makes it difficult to interpret their design logic. Here we propose BLMM Crystal Transformer, a neural network based probabilistic generative model for generative and tinkering design of inorganic materials. Our model is built on the blank filling language model for text generation and has demonstrated unique advantages in learning the "materials grammars" together with high-quality generation, interpretability, and data efficiency. It can generate chemically valid materials compositions with as high as 89.7\% charge neutrality and 84.8\% balanced electronegativity, which are more than 4 and 8 times higher compared to a pseudo random sampling baseline. The probabilistic generation process of BLMM allows it to recommend tinkering operations based on learned materials chemistry and makes it useful for materials doping. Combined with the TCSP crysal structure prediction algorithm, We have applied our model to discover a set of new materials as validated using DFT calculations. Our work thus brings the unsupervised transformer language models based generative artificial intelligence to inorganic materials. A user-friendly web app has been developed for computational materials doping and can be accessed freely at www.materialsatlas.org/blmtinker.

Inspired by the phenomenon of catastrophic forgetting, we investigate the learning dynamics of neural networks as they train on single classification tasks. Our goal is to understand whether a related phenomenon occurs when data does not undergo a clear distributional shift. We define a `forgetting event' to have occurred when an individual training example transitions from being classified correctly to incorrectly over the course of learning. Across several benchmark data sets, we find that: (i) certain examples are forgotten with high frequency, and some not at all; (ii) a data set's (un)forgettable examples generalize across neural architectures; and (iii) based on forgetting dynamics, a significant fraction of examples can be omitted from the training data set while still maintaining state-of-the-art generalization performance.

Extracellular recordings are transient voltage fluctuations in the vicinity of neurons, serving as a fundamental modality in neuroscience for decoding brain activity at single-neuron resolution. Spike sorting, the process of attributing each detected spike to its corresponding neuron, is a pivotal step in brain sensing pipelines. However, it remains challenging under low signal-to-noise ratio (SNR), electrode drift and cross-session variability. In this paper, we propose HuiduRep, a robust self-supervised representation learning framework that extracts discriminative and generalizable features from extracellular recordings. By integrating contrastive learning with a denoising autoencoder, HuiduRep learns latent representations that are robust to noise and drift. With HuiduRep, we develop a spike sorting pipeline that clusters spike representations without ground truth labels. Experiments on hybrid and real-world datasets demonstrate that HuiduRep achieves strong robustness. Furthermore, the pipeline outperforms state-of-the-art tools such as KiloSort4 and MountainSort5. These findings demonstrate the potential of self-supervised spike representation learning as a foundational tool for robust and generalizable processing of extracellular recordings. Code is available at: https://github.com/IgarashiAkatuki/HuiduRep

In recent years, Deep Learning models have shown a great performance in complex optimization problems. They generally require large training datasets, which is a limitation in most practical cases. Transfer learning allows importing the first layers of a pre-trained architecture and connecting them to fully-connected layers to adapt them to a new problem. Consequently, the configuration of the these layers becomes crucial for the performance of the model. Unfortunately, the optimization of these models is usually a computationally demanding task. One strategy to optimize Deep Learning models is the pruning scheme. Pruning methods are focused on reducing the complexity of the network, assuming an expected performance penalty of the model once pruned. However, the pruning could potentially be used to improve the performance, using an optimization algorithm to identify and eventually remove unnecessary connections among neurons. This work proposes EvoPruneDeepTL, an evolutionary pruning model for Transfer Learning based Deep Neural Networks which replaces the last fully-connected layers with sparse layers optimized by a genetic algorithm. Depending on its solution encoding strategy, our proposed model can either perform optimized pruning or feature selection over the densely connected part of the neural network. We carry out different experiments with several datasets to assess the benefits of our proposal. Results show the contribution of EvoPruneDeepTL and feature selection to the overall computational efficiency of the network as a result of the optimization process. In particular, the accuracy is improved, reducing at the same time the number of active neurons in the final layers.

We present the full-size Russian complexly NER-labeled corpus of Internet user reviews, along with an evaluation of accuracy levels reached on this corpus by a set of advanced deep learning neural networks to extract the pharmacologically meaningful entities from Russian texts. The corpus annotation includes mentions of the following entities: Medication (33005 mentions), Adverse Drug Reaction (1778), Disease (17403), and Note (4490). Two of them - Medication and Disease - comprise a set of attributes. A part of the corpus has the coreference annotation with 1560 coreference chains in 300 documents. Special multi-label model based on a language model and the set of features is developed, appropriate for presented corpus labeling. The influence of the choice of different modifications of the models: word vector representations, types of language models pre-trained for Russian, text normalization styles, and other preliminary processing are analyzed. The sufficient size of our corpus allows to study the effects of particularities of corpus labeling and balancing entities in the corpus. As a result, the state of the art for the pharmacological entity extraction problem for Russian is established on a full-size labeled corpus. In case of the adverse drug reaction (ADR) recognition, it is 61.1 by the F1-exact metric that, as our analysis shows, is on par with the accuracy level for other language corpora with similar characteristics and the ADR representativnes. The evaluated baseline precision of coreference relation extraction on the corpus is 71, that is higher the results reached on other Russian corpora.

Learning neural implicit surfaces from volume rendering has become popular for multi-view reconstruction. Neural surface reconstruction approaches can recover complex 3D geometry that are difficult for classical Multi-view Stereo (MVS) approaches, such as non-Lambertian surfaces and thin structures. However, one key assumption for these methods is knowing accurate camera parameters for the input multi-view images, which are not always available. In this paper, we present NoPose-NeuS, a neural implicit surface reconstruction method that extends NeuS to jointly optimize camera poses with the geometry and color networks. We encode the camera poses as a multi-layer perceptron (MLP) and introduce two additional losses, which are multi-view feature consistency and rendered depth losses, to constrain the learned geometry for better estimated camera poses and scene surfaces. Extensive experiments on the DTU dataset show that the proposed method can estimate relatively accurate camera poses, while maintaining a high surface reconstruction quality with 0.89 mean Chamfer distance.

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

Learning neural operators for solving partial differential equations (PDEs) has attracted great attention due to its high inference efficiency. However, training such operators requires generating a substantial amount of labeled data, i.e., PDE problems together with their solutions. The data generation process is exceptionally time-consuming, as it involves solving numerous systems of linear equations to obtain numerical solutions to the PDEs. Many existing methods solve these systems independently without considering their inherent similarities, resulting in extremely redundant computations. To tackle this problem, we propose a novel method, namely Sorting Krylov Recycling (SKR), to boost the efficiency of solving these systems, thus significantly accelerating data generation for neural operators training. To the best of our knowledge, SKR is the first attempt to address the time-consuming nature of data generation for learning neural operators. The working horse of SKR is Krylov subspace recycling, a powerful technique for solving a series of interrelated systems by leveraging their inherent similarities. Specifically, SKR employs a sorting algorithm to arrange these systems in a sequence, where adjacent systems exhibit high similarities. Then it equips a solver with Krylov subspace recycling to solve the systems sequentially instead of independently, thus effectively enhancing the solving efficiency. Both theoretical analysis and extensive experiments demonstrate that SKR can significantly accelerate neural operator data generation, achieving a remarkable speedup of up to 13.9 times.

Visual question answering is fundamentally compositional in nature---a question like "where is the dog?" shares substructure with questions like "what color is the dog?" and "where is the cat?" This paper seeks to simultaneously exploit the representational capacity of deep networks and the compositional linguistic structure of questions. We describe a procedure for constructing and learning *neural module networks*, which compose collections of jointly-trained neural "modules" into deep networks for question answering. Our approach decomposes questions into their linguistic substructures, and uses these structures to dynamically instantiate modular networks (with reusable components for recognizing dogs, classifying colors, etc.). The resulting compound networks are jointly trained. We evaluate our approach on two challenging datasets for visual question answering, achieving state-of-the-art results on both the VQA natural image dataset and a new dataset of complex questions about abstract shapes.

Recent work analyzing in-context learning (ICL) has identified a broad set of strategies that describe model behavior in different experimental conditions. We aim to unify these findings by asking why a model learns these disparate strategies in the first place. Specifically, we start with the observation that when trained to learn a mixture of tasks, as is popular in the literature, the strategies learned by a model for performing ICL can be captured by a family of Bayesian predictors: a memorizing predictor, which assumes a discrete prior on the set of seen tasks, and a generalizing predictor, where the prior matches the underlying task distribution. Adopting the normative lens of rational analysis, where a learner's behavior is explained as an optimal adaptation to data given computational constraints, we develop a hierarchical Bayesian framework that almost perfectly predicts Transformer next-token predictions throughout training -- without assuming access to its weights. Under this framework, pretraining is viewed as a process of updating the posterior probability of different strategies, and inference-time behavior as a posterior-weighted average over these strategies' predictions. Our framework draws on common assumptions about neural network learning dynamics, which make explicit a tradeoff between loss and complexity among candidate strategies: beyond how well it explains the data, a model's preference towards implementing a strategy is dictated by its complexity. This helps explain well-known ICL phenomena, while offering novel predictions: e.g., we show a superlinear trend in the timescale for transitioning from generalization to memorization as task diversity increases. Overall, our work advances an explanatory and predictive account of ICL grounded in tradeoffs between strategy loss and complexity.

Neural algorithmic reasoning is an emerging area of machine learning focusing on building models that can imitate the execution of classic algorithms, such as sorting, shortest paths, etc. One of the main challenges is to learn algorithms that are able to generalize to out-of-distribution data, in particular with significantly larger input sizes. Recent work on this problem has demonstrated the advantages of learning algorithms step-by-step, giving models access to all intermediate steps of the original algorithm. In this work, we instead focus on learning neural algorithmic reasoning only from the input-output pairs without appealing to the intermediate supervision. We propose simple but effective architectural improvements and also build a self-supervised objective that can regularise intermediate computations of the model without access to the algorithm trajectory. We demonstrate that our approach is competitive to its trajectory-supervised counterpart on tasks from the CLRS Algorithmic Reasoning Benchmark and achieves new state-of-the-art results for several problems, including sorting, where we obtain significant improvements. Thus, learning without intermediate supervision is a promising direction for further research on neural reasoners.

We introduce the "exponential linear unit" (ELU) which speeds up learning in deep neural networks and leads to higher classification accuracies. Like rectified linear units (ReLUs), leaky ReLUs (LReLUs) and parametrized ReLUs (PReLUs), ELUs alleviate the vanishing gradient problem via the identity for positive values. However, ELUs have improved learning characteristics compared to the units with other activation functions. In contrast to ReLUs, ELUs have negative values which allows them to push mean unit activations closer to zero like batch normalization but with lower computational complexity. Mean shifts toward zero speed up learning by bringing the normal gradient closer to the unit natural gradient because of a reduced bias shift effect. While LReLUs and PReLUs have negative values, too, they do not ensure a noise-robust deactivation state. ELUs saturate to a negative value with smaller inputs and thereby decrease the forward propagated variation and information. Therefore, ELUs code the degree of presence of particular phenomena in the input, while they do not quantitatively model the degree of their absence. In experiments, ELUs lead not only to faster learning, but also to significantly better generalization performance than ReLUs and LReLUs on networks with more than 5 layers. On CIFAR-100 ELUs networks significantly outperform ReLU networks with batch normalization while batch normalization does not improve ELU networks. ELU networks are among the top 10 reported CIFAR-10 results and yield the best published result on CIFAR-100, without resorting to multi-view evaluation or model averaging. On ImageNet, ELU networks considerably speed up learning compared to a ReLU network with the same architecture, obtaining less than 10% classification error for a single crop, single model network.

Neural Radiance Fields (NeRF) have achieved photorealistic novel views synthesis; however, the requirement of accurate camera poses limits its application. Despite analysis-by-synthesis extensions for jointly learning neural 3D representations and registering camera frames exist, they are susceptible to suboptimal solutions if poorly initialized. We propose L2G-NeRF, a Local-to-Global registration method for bundle-adjusting Neural Radiance Fields: first, a pixel-wise flexible alignment, followed by a frame-wise constrained parametric alignment. Pixel-wise local alignment is learned in an unsupervised way via a deep network which optimizes photometric reconstruction errors. Frame-wise global alignment is performed using differentiable parameter estimation solvers on the pixel-wise correspondences to find a global transformation. Experiments on synthetic and real-world data show that our method outperforms the current state-of-the-art in terms of high-fidelity reconstruction and resolving large camera pose misalignment. Our module is an easy-to-use plugin that can be applied to NeRF variants and other neural field applications. The Code and supplementary materials are available at https://rover-xingyu.github.io/L2G-NeRF/.

Recent advances in Neural Fields have enabled powerful, discretization-invariant methods for learning neural operators that approximate solutions of Partial Differential Equations (PDEs) on general geometries. Building on these developments, we introduce enf2enf, an encoder--decoder methodology for predicting steady-state Partial Differential Equations with non-parameterized geometric variability, based on recently proposed Equivariant Neural Field architectures. In enf2enf, input geometries are encoded into latent point cloud embeddings that inherently preserve geometric grounding and capture local phenomena. The resulting representations are then combined with global parameters and directly decoded into continuous output fields, thus efficiently modeling the coupling between geometry and physics. By leveraging the inductive biases of locality and translation invariance, our approach is able to capture fine-scale physical features as well as complex shape variations, thereby enhancing generalization and physical compliance. Extensive experiments on a high-fidelity aerodynamic dataset, a hyper-elastic material benchmark, and multi-element airfoil geometries, demonstrate that the proposed model achieves superior or competitive performance compared to state-of-the-art graph based, operator learning, and neural field methods. Notably, our method supports real time inference and zero-shot super-resolution, enabling efficient training on low-resolution meshes while maintaining high accuracy on full-scale discretizations.

Entropy and mutual information in neural networks provide rich information on the learning process, but they have proven difficult to compute reliably in high dimensions. Indeed, in noisy and high-dimensional data, traditional estimates in ambient dimensions approach a fixed entropy and are prohibitively hard to compute. To address these issues, we leverage data geometry to access the underlying manifold and reliably compute these information-theoretic measures. Specifically, we define diffusion spectral entropy (DSE) in neural representations of a dataset as well as diffusion spectral mutual information (DSMI) between different variables representing data. First, we show that they form noise-resistant measures of intrinsic dimensionality and relationship strength in high-dimensional simulated data that outperform classic Shannon entropy, nonparametric estimation, and mutual information neural estimation (MINE). We then study the evolution of representations in classification networks with supervised learning, self-supervision, or overfitting. We observe that (1) DSE of neural representations increases during training; (2) DSMI with the class label increases during generalizable learning but stays stagnant during overfitting; (3) DSMI with the input signal shows differing trends: on MNIST it increases, while on CIFAR-10 and STL-10 it decreases. Finally, we show that DSE can be used to guide better network initialization and that DSMI can be used to predict downstream classification accuracy across 962 models on ImageNet. The official implementation is available at https://github.com/ChenLiu-1996/DiffusionSpectralEntropy.

Confidence calibration -- the problem of predicting probability estimates representative of the true correctness likelihood -- is important for classification models in many applications. We discover that modern neural networks, unlike those from a decade ago, are poorly calibrated. Through extensive experiments, we observe that depth, width, weight decay, and Batch Normalization are important factors influencing calibration. We evaluate the performance of various post-processing calibration methods on state-of-the-art architectures with image and document classification datasets. Our analysis and experiments not only offer insights into neural network learning, but also provide a simple and straightforward recipe for practical settings: on most datasets, temperature scaling -- a single-parameter variant of Platt Scaling -- is surprisingly effective at calibrating predictions.

Deep learning sometimes appears to work in unexpected ways. In pursuit of a deeper understanding of its surprising behaviors, we investigate the utility of a simple yet accurate model of a trained neural network consisting of a sequence of first-order approximations telescoping out into a single empirically operational tool for practical analysis. Across three case studies, we illustrate how it can be applied to derive new empirical insights on a diverse range of prominent phenomena in the literature -- including double descent, grokking, linear mode connectivity, and the challenges of applying deep learning on tabular data -- highlighting that this model allows us to construct and extract metrics that help predict and understand the a priori unexpected performance of neural networks. We also demonstrate that this model presents a pedagogical formalism allowing us to isolate components of the training process even in complex contemporary settings, providing a lens to reason about the effects of design choices such as architecture & optimization strategy, and reveals surprising parallels between neural network learning and gradient boosting.

Triggered by limitations of graph-based deep learning methods in terms of computational expressivity and model flexibility, recent years have seen a surge of interest in computational models that operate on higher-order topological domains such as hypergraphs and simplicial complexes. While the increased expressivity of these models can indeed lead to a better classification performance and a more faithful representation of the underlying system, the computational cost of these higher-order models can increase dramatically. To this end, we here explore a simplicial complex neural network learning architecture based on random walks and fast 1D convolutions (SCRaWl), in which we can adjust the increase in computational cost by varying the length and number of random walks considered while accounting for higher-order relationships. Importantly, due to the random walk-based design, the expressivity of the proposed architecture is provably incomparable to that of existing message-passing simplicial neural networks. We empirically evaluate SCRaWl on real-world datasets and show that it outperforms other simplicial neural networks.

Systematic under-counting effects are observed in data collected across many disciplines, e.g., epidemiology and ecology. Under-counted tensor completion (UC-TC) is well-motivated for many data analytics tasks, e.g., inferring the case numbers of infectious diseases at unobserved locations from under-counted case numbers in neighboring regions. However, existing methods for similar problems often lack supports in theory, making it hard to understand the underlying principles and conditions beyond empirical successes. In this work, a low-rank Poisson tensor model with an expressive unknown nonlinear side information extractor is proposed for under-counted multi-aspect data. A joint low-rank tensor completion and neural network learning algorithm is designed to recover the model. Moreover, the UC-TC formulation is supported by theoretical analysis showing that the fully counted entries of the tensor and each entry's under-counting probability can be provably recovered from partial observations -- under reasonable conditions. To our best knowledge, the result is the first to offer theoretical supports for under-counted multi-aspect data completion. Simulations and real-data experiments corroborate the theoretical claims.

In neural networks, it is often desirable to work with various representations of the same space. For example, 3D rotations can be represented with quaternions or Euler angles. In this paper, we advance a definition of a continuous representation, which can be helpful for training deep neural networks. We relate this to topological concepts such as homeomorphism and embedding. We then investigate what are continuous and discontinuous representations for 2D, 3D, and n-dimensional rotations. We demonstrate that for 3D rotations, all representations are discontinuous in the real Euclidean spaces of four or fewer dimensions. Thus, widely used representations such as quaternions and Euler angles are discontinuous and difficult for neural networks to learn. We show that the 3D rotations have continuous representations in 5D and 6D, which are more suitable for learning. We also present continuous representations for the general case of the n-dimensional rotation group SO(n). While our main focus is on rotations, we also show that our constructions apply to other groups such as the orthogonal group and similarity transforms. We finally present empirical results, which show that our continuous rotation representations outperform discontinuous ones for several practical problems in graphics and vision, including a simple autoencoder sanity test, a rotation estimator for 3D point clouds, and an inverse kinematics solver for 3D human poses.

We present rectified flow, a surprisingly simple approach to learning (neural) ordinary differential equation (ODE) models to transport between two empirically observed distributions \pi_0 and \pi_1, hence providing a unified solution to generative modeling and domain transfer, among various other tasks involving distribution transport. The idea of rectified flow is to learn the ODE to follow the straight paths connecting the points drawn from \pi_0 and \pi_1 as much as possible. This is achieved by solving a straightforward nonlinear least squares optimization problem, which can be easily scaled to large models without introducing extra parameters beyond standard supervised learning. The straight paths are special and preferred because they are the shortest paths between two points, and can be simulated exactly without time discretization and hence yield computationally efficient models. We show that the procedure of learning a rectified flow from data, called rectification, turns an arbitrary coupling of \pi_0 and \pi_1 to a new deterministic coupling with provably non-increasing convex transport costs. In addition, recursively applying rectification allows us to obtain a sequence of flows with increasingly straight paths, which can be simulated accurately with coarse time discretization in the inference phase. In empirical studies, we show that rectified flow performs superbly on image generation, image-to-image translation, and domain adaptation. In particular, on image generation and translation, our method yields nearly straight flows that give high quality results even with a single Euler discretization step.

In this paper, we develop a hybrid approach to forecasting the volatility and risk of financial instruments by combining common econometric GARCH time series models with deep learning neural networks. For the latter, we employ Gated Recurrent Unit (GRU) networks, whereas four different specifications are used as the GARCH component: standard GARCH, EGARCH, GJR-GARCH and APARCH. Models are tested using daily logarithmic returns on the S&P 500 index as well as gold price Bitcoin prices, with the three assets representing quite distinct volatility dynamics. As the main volatility estimator, also underlying the target function of our hybrid models, we use the price-range-based Garman-Klass estimator, modified to incorporate the opening and closing prices. Volatility forecasts resulting from the hybrid models are employed to evaluate the assets' risk using the Value-at-Risk (VaR) and Expected Shortfall (ES) at two different tolerance levels of 5% and 1%. Gains from combining the GARCH and GRU approaches are discussed in the contexts of both the volatility and risk forecasts. In general, it can be concluded that the hybrid solutions produce more accurate point volatility forecasts, although it does not necessarily translate into superior VaR and ES forecasts.

In recent years, huge progress has been made on learning neural implicit representations from multi-view images for 3D reconstruction. As an additional input complementing coordinates, using sinusoidal functions as positional encodings plays a key role in revealing high frequency details with coordinate-based neural networks. However, high frequency positional encodings make the optimization unstable, which results in noisy reconstructions and artifacts in empty space. To resolve this issue in a general sense, we introduce to learn neural implicit representations with quantized coordinates, which reduces the uncertainty and ambiguity in the field during optimization. Instead of continuous coordinates, we discretize continuous coordinates into discrete coordinates using nearest interpolation among quantized coordinates which are obtained by discretizing the field in an extremely high resolution. We use discrete coordinates and their positional encodings to learn implicit functions through volume rendering. This significantly reduces the variations in the sample space, and triggers more multi-view consistency constraints on intersections of rays from different views, which enables to infer implicit function in a more effective way. Our quantized coordinates do not bring any computational burden, and can seamlessly work upon the latest methods. Our evaluations under the widely used benchmarks show our superiority over the state-of-the-art. Our code is available at https://github.com/MachinePerceptionLab/CQ-NIR.

In this paper we present our approach to tackle the Implicit Emotion Shared Task (IEST) organized as part of WASSA 2018 at EMNLP 2018. Given a tweet, from which a certain word has been removed, we are asked to predict the emotion of the missing word. In this work, we experiment with neural Transfer Learning (TL) methods. Our models are based on LSTM networks, augmented with a self-attention mechanism. We use the weights of various pretrained models, for initializing specific layers of our networks. We leverage a big collection of unlabeled Twitter messages, for pretraining word2vec word embeddings and a set of diverse language models. Moreover, we utilize a sentiment analysis dataset for pretraining a model, which encodes emotion related information. The submitted model consists of an ensemble of the aforementioned TL models. Our team ranked 3rd out of 30 participants, achieving an F1 score of 0.703.

The Mixture-of-Experts (MoE) layer, a sparsely-activated model controlled by a router, has achieved great success in deep learning. However, the understanding of such architecture remains elusive. In this paper, we formally study how the MoE layer improves the performance of neural network learning and why the mixture model will not collapse into a single model. Our empirical results suggest that the cluster structure of the underlying problem and the non-linearity of the expert are pivotal to the success of MoE. To further understand this, we consider a challenging classification problem with intrinsic cluster structures, which is hard to learn using a single expert. Yet with the MoE layer, by choosing the experts as two-layer nonlinear convolutional neural networks (CNNs), we show that the problem can be learned successfully. Furthermore, our theory shows that the router can learn the cluster-center features, which helps divide the input complex problem into simpler linear classification sub-problems that individual experts can conquer. To our knowledge, this is the first result towards formally understanding the mechanism of the MoE layer for deep learning.

We study the problem of learning equivariant neural networks via gradient descent. The incorporation of known symmetries ("equivariance") into neural nets has empirically improved the performance of learning pipelines, in domains ranging from biology to computer vision. However, a rich yet separate line of learning theoretic research has demonstrated that actually learning shallow, fully-connected (i.e. non-symmetric) networks has exponential complexity in the correlational statistical query (CSQ) model, a framework encompassing gradient descent. In this work, we ask: are known problem symmetries sufficient to alleviate the fundamental hardness of learning neural nets with gradient descent? We answer this question in the negative. In particular, we give lower bounds for shallow graph neural networks, convolutional networks, invariant polynomials, and frame-averaged networks for permutation subgroups, which all scale either superpolynomially or exponentially in the relevant input dimension. Therefore, in spite of the significant inductive bias imparted via symmetry, actually learning the complete classes of functions represented by equivariant neural networks via gradient descent remains hard.

We investigate the geometric structure of learning dynamics in overparameterized transformer models through carefully controlled modular arithmetic tasks. Our primary finding is that despite operating in high-dimensional parameter spaces (d=128), transformer training trajectories rapidly collapse onto low-dimensional execution manifolds of dimension 3--4. This dimensional collapse is robust across random seeds and moderate task difficulties, though the orientation of the manifold in parameter space varies between runs. We demonstrate that this geometric structure underlies several empirically observed phenomena: (1) sharp attention concentration emerges as saturation along routing coordinates within the execution manifold, (2) SGD commutators are preferentially aligned with the execution subspace (up to 10times random baseline) early in training, with >92% of non-commutativity confined to orthogonal staging directions and this alignment decreasing as training converges, and (3) sparse autoencoders capture auxiliary routing structure but fail to isolate execution itself, which remains distributed across the low-dimensional manifold. Our results suggest a unifying geometric framework for understanding transformer learning, where the vast majority of parameters serve to absorb optimization interference while core computation occurs in a dramatically reduced subspace. These findings have implications for interpretability, training curriculum design, and understanding the role of overparameterization in neural network learning.

In this study, we examine the potential of one of the ``superexpressive'' networks in the context of learning neural functions for representing complex signals and performing machine learning downstream tasks. Our focus is on evaluating their performance on computer vision and scientific machine learning tasks including signal representation/inverse problems and solutions of partial differential equations. Through an empirical investigation in various benchmark tasks, we demonstrate that superexpressive networks, as proposed by [Zhang et al. NeurIPS, 2022], which employ a specialized network structure characterized by having an additional dimension, namely width, depth, and ``height'', can surpass recent implicit neural representations that use highly-specialized nonlinear activation functions.

Deep models have achieved impressive progress in solving partial differential equations (PDEs). A burgeoning paradigm is learning neural operators to approximate the input-output mappings of PDEs. While previous deep models have explored the multiscale architectures and various operator designs, they are limited to learning the operators as a whole in the coordinate space. In real physical science problems, PDEs are complex coupled equations with numerical solvers relying on discretization into high-dimensional coordinate space, which cannot be precisely approximated by a single operator nor efficiently learned due to the curse of dimensionality. We present Latent Spectral Models (LSM) toward an efficient and precise solver for high-dimensional PDEs. Going beyond the coordinate space, LSM enables an attention-based hierarchical projection network to reduce the high-dimensional data into a compact latent space in linear time. Inspired by classical spectral methods in numerical analysis, we design a neural spectral block to solve PDEs in the latent space that approximates complex input-output mappings via learning multiple basis operators, enjoying nice theoretical guarantees for convergence and approximation. Experimentally, LSM achieves consistent state-of-the-art and yields a relative gain of 11.5% averaged on seven benchmarks covering both solid and fluid physics. Code is available at https://github.com/thuml/Latent-Spectral-Models.

Remarkable advances have been achieved recently in learning neural representations that characterize object geometry, while generating textured objects suitable for downstream applications and 3D rendering remains at an early stage. In particular, reconstructing textured geometry from images of real objects is a significant challenge -- reconstructed geometry is often inexact, making realistic texturing a significant challenge. We present Mesh2Tex, which learns a realistic object texture manifold from uncorrelated collections of 3D object geometry and photorealistic RGB images, by leveraging a hybrid mesh-neural-field texture representation. Our texture representation enables compact encoding of high-resolution textures as a neural field in the barycentric coordinate system of the mesh faces. The learned texture manifold enables effective navigation to generate an object texture for a given 3D object geometry that matches to an input RGB image, which maintains robustness even under challenging real-world scenarios where the mesh geometry approximates an inexact match to the underlying geometry in the RGB image. Mesh2Tex can effectively generate realistic object textures for an object mesh to match real images observations towards digitization of real environments, significantly improving over previous state of the art.

A probabilistic classifier with reliable predictive uncertainties i) fits successfully to the target domain data, ii) provides calibrated class probabilities in difficult regions of the target domain (e.g.\ class overlap), and iii) accurately identifies queries coming out of the target domain and rejects them. We introduce an original combination of Evidential Deep Learning, Neural Processes, and Neural Turing Machines capable of providing all three essential properties mentioned above for total uncertainty quantification. We observe our method on five classification tasks to be the only one that can excel all three aspects of total calibration with a single standalone predictor. Our unified solution delivers an implementation-friendly and compute efficient recipe for safety clearance and provides intellectual economy to an investigation of algorithmic roots of epistemic awareness in deep neural nets.

We study the task of semantic mapping - specifically, an embodied agent (a robot or an egocentric AI assistant) is given a tour of a new environment and asked to build an allocentric top-down semantic map ("what is where?") from egocentric observations of an RGB-D camera with known pose (via localization sensors). Towards this goal, we present SemanticMapNet (SMNet), which consists of: (1) an Egocentric Visual Encoder that encodes each egocentric RGB-D frame, (2) a Feature Projector that projects egocentric features to appropriate locations on a floor-plan, (3) a Spatial Memory Tensor of size floor-plan length x width x feature-dims that learns to accumulate projected egocentric features, and (4) a Map Decoder that uses the memory tensor to produce semantic top-down maps. SMNet combines the strengths of (known) projective camera geometry and neural representation learning. On the task of semantic mapping in the Matterport3D dataset, SMNet significantly outperforms competitive baselines by 4.01-16.81% (absolute) on mean-IoU and 3.81-19.69% (absolute) on Boundary-F1 metrics. Moreover, we show how to use the neural episodic memories and spatio-semantic allocentric representations build by SMNet for subsequent tasks in the same space - navigating to objects seen during the tour("Find chair") or answering questions about the space ("How many chairs did you see in the house?"). Project page: https://vincentcartillier.github.io/smnet.html.

To the naked eye, stock prices are considered chaotic, dynamic, and unpredictable. Indeed, it is one of the most difficult forecasting tasks that hundreds of millions of retail traders and professional traders around the world try to do every second even before the market opens. With recent advances in the development of machine learning and the amount of data the market generated over years, applying machine learning techniques such as deep learning neural networks is unavoidable. In this work, we modeled the task as a multivariate forecasting problem, instead of a naive autoregression problem. The multivariate analysis is done using the attention mechanism via applying a mutated version of the Transformer, "Stockformer", which we created.

The cost of hyperparameter tuning in deep learning has been rising with model sizes, prompting practitioners to find new tuning methods using a proxy of smaller networks. One such proposal uses muP parameterized networks, where the optimal hyperparameters for small width networks transfer to networks with arbitrarily large width. However, in this scheme, hyperparameters do not transfer across depths. As a remedy, we study residual networks with a residual branch scale of 1/text{depth} in combination with the muP parameterization. We provide experiments demonstrating that residual architectures including convolutional ResNets and Vision Transformers trained with this parameterization exhibit transfer of optimal hyperparameters across width and depth on CIFAR-10 and ImageNet. Furthermore, our empirical findings are supported and motivated by theory. Using recent developments in the dynamical mean field theory (DMFT) description of neural network learning dynamics, we show that this parameterization of ResNets admits a well-defined feature learning joint infinite-width and infinite-depth limit and show convergence of finite-size network dynamics towards this limit.

In this study, we apply two pillars of Scientific Machine Learning: Neural Ordinary Differential Equations (Neural ODEs) and Universal Differential Equations (UDEs) to the Chandrasekhar White Dwarf Equation (CWDE). The CWDE is fundamental for understanding the life cycle of a star, and describes the relationship between the density of the white dwarf and its distance from the center. Despite the rise in Scientific Machine Learning frameworks, very less attention has been paid to the systematic applications of the above SciML pillars on astronomy based ODEs. Through robust modeling in the Julia programming language, we show that both Neural ODEs and UDEs can be used effectively for both prediction as well as forecasting of the CWDE. More importantly, we introduce the forecasting breakdown point - the time at which forecasting fails for both Neural ODEs and UDEs. Through a robust hyperparameter optimization testing, we provide insights on the neural network architecture, activation functions and optimizers which provide the best results. This study provides opens a door to investigate the applicability of Scientific Machine Learning frameworks in forecasting tasks for a wide range of scientific domains.

The training paradigm for machine translation has gradually shifted, from learning neural machine translation (NMT) models with extensive parallel corpora to instruction finetuning on pretrained multilingual large language models (LLMs) with high-quality translation pairs. In this paper, we focus on boosting the many-to-many multilingual translation performance of LLMs with an emphasis on zero-shot translation directions. We demonstrate that prompt strategies adopted during instruction finetuning are crucial to zero-shot translation performance and introduce a cross-lingual consistency regularization, XConST, to bridge the representation gap among different languages and improve zero-shot translation performance. XConST is not a new method, but a version of CrossConST (Gao et al., 2023a) adapted for multilingual finetuning on LLMs with translation instructions. Experimental results on ALMA (Xu et al., 2023) and LLaMA-2 (Touvron et al., 2023) show that our approach consistently improves translation performance. Our implementations are available at https://github.com/gpengzhi/CrossConST-LLM.

We present DREAM, the first dialogue-based multiple-choice reading comprehension dataset. Collected from English-as-a-foreign-language examinations designed by human experts to evaluate the comprehension level of Chinese learners of English, our dataset contains 10,197 multiple-choice questions for 6,444 dialogues. In contrast to existing reading comprehension datasets, DREAM is the first to focus on in-depth multi-turn multi-party dialogue understanding. DREAM is likely to present significant challenges for existing reading comprehension systems: 84% of answers are non-extractive, 85% of questions require reasoning beyond a single sentence, and 34% of questions also involve commonsense knowledge. We apply several popular neural reading comprehension models that primarily exploit surface information within the text and find them to, at best, just barely outperform a rule-based approach. We next investigate the effects of incorporating dialogue structure and different kinds of general world knowledge into both rule-based and (neural and non-neural) machine learning-based reading comprehension models. Experimental results on the DREAM dataset show the effectiveness of dialogue structure and general world knowledge. DREAM will be available at https://dataset.org/dream/.

AI researchers and practitioners increasingly apply large language models (LLMs) to what we call reasoning-intensive regression (RiR), i.e. deducing subtle numerical properties from text. Unlike standard language regression tasks, e.g. for sentiment or similarity, RiR often appears instead in ad-hoc problems like rubric-based scoring or domain-specific retrieval, where much deeper analysis of text is required while only limited task-specific training data and computation are available. We cast three realistic problems as RiR tasks to establish an initial benchmark, and use that to test our hypothesis that prompting frozen LLMs and finetuning Transformer encoders via gradient descent will both often struggle in RiR. We then propose MENTAT, a simple and lightweight method that combines batch-reflective prompt optimization with neural ensemble learning. MENTAT achieves up to 65% improvement over both baselines, though substantial room remains for future advances in RiR.

Convolutional Neural Networks (CNNs) and Vision Transformers (ViT) have been pivotal in biomedical image segmentation, yet their ability to manage long-range dependencies remains constrained by inherent locality and computational overhead. To overcome these challenges, in this technical report, we first propose xLSTM-UNet, a UNet structured deep learning neural network that leverages Vision-LSTM (xLSTM) as its backbone for medical image segmentation. xLSTM is a recently proposed as the successor of Long Short-Term Memory (LSTM) networks and have demonstrated superior performance compared to Transformers and State Space Models (SSMs) like Mamba in Neural Language Processing (NLP) and image classification (as demonstrated in Vision-LSTM, or ViL implementation). Here, xLSTM-UNet we designed extend the success in biomedical image segmentation domain. By integrating the local feature extraction strengths of convolutional layers with the long-range dependency capturing abilities of xLSTM, xLSTM-UNet offers a robust solution for comprehensive image analysis. We validate the efficacy of xLSTM-UNet through experiments. Our findings demonstrate that xLSTM-UNet consistently surpasses the performance of leading CNN-based, Transformer-based, and Mamba-based segmentation networks in multiple datasets in biomedical segmentation including organs in abdomen MRI, instruments in endoscopic images, and cells in microscopic images. With comprehensive experiments performed, this technical report highlights the potential of xLSTM-based architectures in advancing biomedical image analysis in both 2D and 3D. The code, models, and datasets are publicly available at http://tianrun-chen.github.io/xLSTM-UNet/{http://tianrun-chen.github.io/xLSTM-Unet/}

Recently, many arbitrary-oriented object detection (AOOD) methods have been proposed and attracted widespread attention in many fields. However, most of them are based on anchor-boxes or standard Gaussian heatmaps. Such label assignment strategy may not only fail to reflect the shape and direction characteristics of arbitrary-oriented objects, but also have high parameter-tuning efforts. In this paper, a novel AOOD method called General Gaussian Heatmap Label Assignment (GGHL) is proposed. Specifically, an anchor-free object-adaptation label assignment (OLA) strategy is presented to define the positive candidates based on two-dimensional (2-D) oriented Gaussian heatmaps, which reflect the shape and direction features of arbitrary-oriented objects. Based on OLA, an oriented-bounding-box (OBB) representation component (ORC) is developed to indicate OBBs and adjust the Gaussian center prior weights to fit the characteristics of different objects adaptively through neural network learning. Moreover, a joint-optimization loss (JOL) with area normalization and dynamic confidence weighting is designed to refine the misalign optimal results of different subtasks. Extensive experiments on public datasets demonstrate that the proposed GGHL improves the AOOD performance with low parameter-tuning and time costs. Furthermore, it is generally applicable to most AOOD methods to improve their performance including lightweight models on embedded platforms.

Neural Module Networks, originally proposed for the task of visual question answering, are a class of neural network architectures that involve human-specified neural modules, each designed for a specific form of reasoning. In current formulations of such networks only the parameters of the neural modules and/or the order of their execution is learned. In this work, we further expand this approach and also learn the underlying internal structure of modules in terms of the ordering and combination of simple and elementary arithmetic operators. Our results show that one is indeed able to simultaneously learn both internal module structure and module sequencing without extra supervisory signals for module execution sequencing. With this approach, we report performance comparable to models using hand-designed modules.

Uncertainty learning and quantification of models are crucial tasks to enhance the trustworthiness of the models. Importantly, the recent surge of generative language models (GLMs) emphasizes the need for reliable uncertainty quantification due to the concerns on generating hallucinated facts. In this paper, we propose to learn neural prediction set models that comes with the probably approximately correct (PAC) guarantee for quantifying the uncertainty of GLMs. Unlike existing prediction set models, which are parameterized by a scalar value, we propose to parameterize prediction sets via neural networks, which achieves more precise uncertainty quantification but still satisfies the PAC guarantee. We demonstrate the efficacy of our method on four types of language datasets and six types of models by showing that our method improves the quantified uncertainty by 63% on average, compared to a standard baseline method.

Artificial neural networks have exceeded human-level performance in accomplishing several individual tasks (e.g. voice recognition, object recognition, and video games). However, such success remains modest compared to human intelligence that can learn and perform an unlimited number of tasks. Humans' ability of learning and accumulating knowledge over their lifetime is an essential aspect of their intelligence. Continual machine learning aims at a higher level of machine intelligence through providing the artificial agents with the ability to learn online from a non-stationary and never-ending stream of data. A key component of such a never-ending learning process is to overcome the catastrophic forgetting of previously seen data, a problem that neural networks are well known to suffer from. The work described in this thesis has been dedicated to the investigation of continual learning and solutions to mitigate the forgetting phenomena in neural networks. To approach the continual learning problem, we first assume a task incremental setting where tasks are received one at a time and data from previous tasks are not stored. Since the task incremental setting can't be assumed in all continual learning scenarios, we also study the more general online continual setting. We consider an infinite stream of data drawn from a non-stationary distribution with a supervisory or self-supervisory training signal. The proposed methods in this thesis have tackled important aspects of continual learning. They were evaluated on different benchmarks and over various learning sequences. Advances in the state of the art of continual learning have been shown and challenges for bringing continual learning into application were critically identified.

Learning useful representations without supervision remains a key challenge in machine learning. In this paper, we propose a simple yet powerful generative model that learns such discrete representations. Our model, the Vector Quantised-Variational AutoEncoder (VQ-VAE), differs from VAEs in two key ways: the encoder network outputs discrete, rather than continuous, codes; and the prior is learnt rather than static. In order to learn a discrete latent representation, we incorporate ideas from vector quantisation (VQ). Using the VQ method allows the model to circumvent issues of "posterior collapse" -- where the latents are ignored when they are paired with a powerful autoregressive decoder -- typically observed in the VAE framework. Pairing these representations with an autoregressive prior, the model can generate high quality images, videos, and speech as well as doing high quality speaker conversion and unsupervised learning of phonemes, providing further evidence of the utility of the learnt representations.

Neural networks are powerful and flexible models that work well for many difficult learning tasks in image, speech and natural language understanding. Despite their success, neural networks are still hard to design. In this paper, we use a recurrent network to generate the model descriptions of neural networks and train this RNN with reinforcement learning to maximize the expected accuracy of the generated architectures on a validation set. On the CIFAR-10 dataset, our method, starting from scratch, can design a novel network architecture that rivals the best human-invented architecture in terms of test set accuracy. Our CIFAR-10 model achieves a test error rate of 3.65, which is 0.09 percent better and 1.05x faster than the previous state-of-the-art model that used a similar architectural scheme. On the Penn Treebank dataset, our model can compose a novel recurrent cell that outperforms the widely-used LSTM cell, and other state-of-the-art baselines. Our cell achieves a test set perplexity of 62.4 on the Penn Treebank, which is 3.6 perplexity better than the previous state-of-the-art model. The cell can also be transferred to the character language modeling task on PTB and achieves a state-of-the-art perplexity of 1.214.

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However, existing approaches either overlook the inherent permutation symmetry in the neural network or rely on intricate weight-sharing patterns to achieve equivariance, while ignoring the impact of the network architecture itself. In this work, we propose to represent neural networks as computational graphs of parameters, which allows us to harness powerful graph neural networks and transformers that preserve permutation symmetry. Consequently, our approach enables a single model to encode neural computational graphs with diverse architectures. We showcase the effectiveness of our method on a wide range of tasks, including classification and editing of implicit neural representations, predicting generalization performance, and learning to optimize, while consistently outperforming state-of-the-art methods. The source code is open-sourced at https://github.com/mkofinas/neural-graphs.

Neural implicit surface learning has shown significant progress in multi-view 3D reconstruction, where an object is represented by multilayer perceptrons that provide continuous implicit surface representation and view-dependent radiance. However, current methods often fail to accurately reconstruct reflective surfaces, leading to severe ambiguity. To overcome this issue, we propose Ref-NeuS, which aims to reduce ambiguity by attenuating the effect of reflective surfaces. Specifically, we utilize an anomaly detector to estimate an explicit reflection score with the guidance of multi-view context to localize reflective surfaces. Afterward, we design a reflection-aware photometric loss that adaptively reduces ambiguity by modeling rendered color as a Gaussian distribution, with the reflection score representing the variance. We show that together with a reflection direction-dependent radiance, our model achieves high-quality surface reconstruction on reflective surfaces and outperforms the state-of-the-arts by a large margin. Besides, our model is also comparable on general surfaces.

Existing inverse rendering combined with neural rendering methods can only perform editable novel view synthesis on object-specific scenes, while we present intrinsic neural radiance fields, dubbed IntrinsicNeRF, which introduce intrinsic decomposition into the NeRF-based neural rendering method and can extend its application to room-scale scenes. Since intrinsic decomposition is a fundamentally under-constrained inverse problem, we propose a novel distance-aware point sampling and adaptive reflectance iterative clustering optimization method, which enables IntrinsicNeRF with traditional intrinsic decomposition constraints to be trained in an unsupervised manner, resulting in multi-view consistent intrinsic decomposition results. To cope with the problem that different adjacent instances of similar reflectance in a scene are incorrectly clustered together, we further propose a hierarchical clustering method with coarse-to-fine optimization to obtain a fast hierarchical indexing representation. It supports compelling real-time augmented applications such as recoloring and illumination variation. Extensive experiments and editing samples on both object-specific/room-scale scenes and synthetic/real-word data demonstrate that we can obtain consistent intrinsic decomposition results and high-fidelity novel view synthesis even for challenging sequences.

We introduce Continual Learning via Neural Pruning (CLNP), a new method aimed at lifelong learning in fixed capacity models based on neuronal model sparsification. In this method, subsequent tasks are trained using the inactive neurons and filters of the sparsified network and cause zero deterioration to the performance of previous tasks. In order to deal with the possible compromise between model sparsity and performance, we formalize and incorporate the concept of graceful forgetting: the idea that it is preferable to suffer a small amount of forgetting in a controlled manner if it helps regain network capacity and prevents uncontrolled loss of performance during the training of future tasks. CLNP also provides simple continual learning diagnostic tools in terms of the number of free neurons left for the training of future tasks as well as the number of neurons that are being reused. In particular, we see in experiments that CLNP verifies and automatically takes advantage of the fact that the features of earlier layers are more transferable. We show empirically that CLNP leads to significantly improved results over current weight elasticity based methods.

Neural radiance fields (NeRF) is a promising approach for generating photorealistic images and representing complex scenes. However, when processing data sequentially, it can suffer from catastrophic forgetting, where previous data is easily forgotten after training with new data. Existing incremental learning methods using knowledge distillation assume that continuous data chunks contain both 2D images and corresponding camera pose parameters, pre-estimated from the complete dataset. This poses a paradox as the necessary camera pose must be estimated from the entire dataset, even though the data arrives sequentially and future chunks are inaccessible. In contrast, we focus on a practical scenario where camera poses are unknown. We propose IL-NeRF, a novel framework for incremental NeRF training, to address this challenge. IL-NeRF's key idea lies in selecting a set of past camera poses as references to initialize and align the camera poses of incoming image data. This is followed by a joint optimization of camera poses and replay-based NeRF distillation. Our experiments on real-world indoor and outdoor scenes show that IL-NeRF handles incremental NeRF training and outperforms the baselines by up to 54.04% in rendering quality.

Although data diffusion embeddings are ubiquitous in unsupervised learning and have proven to be a viable technique for uncovering the underlying intrinsic geometry of data, diffusion embeddings are inherently limited due to their discrete nature. To this end, we propose neural FIM, a method for computing the Fisher information metric (FIM) from point cloud data - allowing for a continuous manifold model for the data. Neural FIM creates an extensible metric space from discrete point cloud data such that information from the metric can inform us of manifold characteristics such as volume and geodesics. We demonstrate Neural FIM's utility in selecting parameters for the PHATE visualization method as well as its ability to obtain information pertaining to local volume illuminating branching points and cluster centers embeddings of a toy dataset and two single-cell datasets of IPSC reprogramming and PBMCs (immune cells).

Many machine learning methods operate by inverting a neural network at inference time, which has become a popular technique for solving inverse problems in computer vision, robotics, and graphics. However, these methods often involve gradient descent through a highly non-convex loss landscape, causing the optimization process to be unstable and slow. We introduce a method that learns a loss landscape where gradient descent is efficient, bringing massive improvement and acceleration to the inversion process. We demonstrate this advantage on a number of methods for both generative and discriminative tasks, including GAN inversion, adversarial defense, and 3D human pose reconstruction.

Effective control and prediction of dynamical systems often require appropriate handling of continuous-time and discrete, event-triggered processes. Stochastic hybrid systems (SHSs), common across engineering domains, provide a formalism for dynamical systems subject to discrete, possibly stochastic, state jumps and multi-modal continuous-time flows. Despite the versatility and importance of SHSs across applications, a general procedure for the explicit learning of both discrete events and multi-mode continuous dynamics remains an open problem. This work introduces Neural Hybrid Automata (NHAs), a recipe for learning SHS dynamics without a priori knowledge on the number of modes and inter-modal transition dynamics. NHAs provide a systematic inference method based on normalizing flows, neural differential equations and self-supervision. We showcase NHAs on several tasks, including mode recovery and flow learning in systems with stochastic transitions, and end-to-end learning of hierarchical robot controllers.

Visual environments are structured, consisting of distinct objects or entities. These entities have properties -- both visible and latent -- that determine the manner in which they interact with one another. To partition images into entities, deep-learning researchers have proposed structural inductive biases such as slot-based architectures. To model interactions among entities, equivariant graph neural nets (GNNs) are used, but these are not particularly well suited to the task for two reasons. First, GNNs do not predispose interactions to be sparse, as relationships among independent entities are likely to be. Second, GNNs do not factorize knowledge about interactions in an entity-conditional manner. As an alternative, we take inspiration from cognitive science and resurrect a classic approach, production systems, which consist of a set of rule templates that are applied by binding placeholder variables in the rules to specific entities. Rules are scored on their match to entities, and the best fitting rules are applied to update entity properties. In a series of experiments, we demonstrate that this architecture achieves a flexible, dynamic flow of control and serves to factorize entity-specific and rule-based information. This disentangling of knowledge achieves robust future-state prediction in rich visual environments, outperforming state-of-the-art methods using GNNs, and allows for the extrapolation from simple (few object) environments to more complex environments.

Deep learning's great success motivates many practitioners and students to learn about this exciting technology. However, it is often challenging for beginners to take their first step due to the complexity of understanding and applying deep learning. We present CNN Explainer, an interactive visualization tool designed for non-experts to learn and examine convolutional neural networks (CNNs), a foundational deep learning model architecture. Our tool addresses key challenges that novices face while learning about CNNs, which we identify from interviews with instructors and a survey with past students. CNN Explainer tightly integrates a model overview that summarizes a CNN's structure, and on-demand, dynamic visual explanation views that help users understand the underlying components of CNNs. Through smooth transitions across levels of abstraction, our tool enables users to inspect the interplay between low-level mathematical operations and high-level model structures. A qualitative user study shows that CNN Explainer helps users more easily understand the inner workings of CNNs, and is engaging and enjoyable to use. We also derive design lessons from our study. Developed using modern web technologies, CNN Explainer runs locally in users' web browsers without the need for installation or specialized hardware, broadening the public's education access to modern deep learning techniques.

This paper presents the Neural Network Verification (NNV) software tool, a set-based verification framework for deep neural networks (DNNs) and learning-enabled cyber-physical systems (CPS). The crux of NNV is a collection of reachability algorithms that make use of a variety of set representations, such as polyhedra, star sets, zonotopes, and abstract-domain representations. NNV supports both exact (sound and complete) and over-approximate (sound) reachability algorithms for verifying safety and robustness properties of feed-forward neural networks (FFNNs) with various activation functions. For learning-enabled CPS, such as closed-loop control systems incorporating neural networks, NNV provides exact and over-approximate reachability analysis schemes for linear plant models and FFNN controllers with piecewise-linear activation functions, such as ReLUs. For similar neural network control systems (NNCS) that instead have nonlinear plant models, NNV supports over-approximate analysis by combining the star set analysis used for FFNN controllers with zonotope-based analysis for nonlinear plant dynamics building on CORA. We evaluate NNV using two real-world case studies: the first is safety verification of ACAS Xu networks and the second deals with the safety verification of a deep learning-based adaptive cruise control system.

Neural Conversational QA tasks like ShARC require systems to answer questions based on the contents of a given passage. On studying recent state-of-the-art models on the ShARCQA task, we found indications that the models learn spurious clues/patterns in the dataset. Furthermore, we show that a heuristic-based program designed to exploit these patterns can have performance comparable to that of the neural models. In this paper we share our findings about four types of patterns found in the ShARC corpus and describe how neural models exploit them. Motivated by the aforementioned findings, we create and share a modified dataset that has fewer spurious patterns, consequently allowing models to learn better.

This paper presents an unsupervised method to learn a neural network, namely an explainer, to interpret a pre-trained convolutional neural network (CNN), i.e., explaining knowledge representations hidden in middle conv-layers of the CNN. Given feature maps of a certain conv-layer of the CNN, the explainer performs like an auto-encoder, which first disentangles the feature maps into object-part features and then inverts object-part features back to features of higher conv-layers of the CNN. More specifically, the explainer contains interpretable conv-layers, where each filter disentangles the representation of a specific object part from chaotic input feature maps. As a paraphrase of CNN features, the disentangled representations of object parts help people understand the logic inside the CNN. We also learn the explainer to use object-part features to reconstruct features of higher CNN layers, in order to minimize loss of information during the feature disentanglement. More crucially, we learn the explainer via network distillation without using any annotations of sample labels, object parts, or textures for supervision. We have applied our method to different types of CNNs for evaluation, and explainers have significantly boosted the interpretability of CNN features.