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SubscribeUnderstanding In-Context Learning in Transformers and LLMs by Learning to Learn Discrete Functions
In order to understand the in-context learning phenomenon, recent works have adopted a stylized experimental framework and demonstrated that Transformers can learn gradient-based learning algorithms for various classes of real-valued functions. However, the limitations of Transformers in implementing learning algorithms, and their ability to learn other forms of algorithms are not well understood. Additionally, the degree to which these capabilities are confined to attention-based models is unclear. Furthermore, it remains to be seen whether the insights derived from these stylized settings can be extrapolated to pretrained Large Language Models (LLMs). In this work, we take a step towards answering these questions by demonstrating the following: (a) On a test-bed with a variety of Boolean function classes, we find that Transformers can nearly match the optimal learning algorithm for 'simpler' tasks, while their performance deteriorates on more 'complex' tasks. Additionally, we find that certain attention-free models perform (almost) identically to Transformers on a range of tasks. (b) When provided a teaching sequence, i.e. a set of examples that uniquely identifies a function in a class, we show that Transformers learn more sample-efficiently. Interestingly, our results show that Transformers can learn to implement two distinct algorithms to solve a single task, and can adaptively select the more sample-efficient algorithm depending on the sequence of in-context examples. (c) Lastly, we show that extant LLMs, e.g. LLaMA-2, GPT-4, can compete with nearest-neighbor baselines on prediction tasks that are guaranteed to not be in their training set.
Differentiability and Optimization of Multiparameter Persistent Homology
Real-valued functions on geometric data -- such as node attributes on a graph -- can be optimized using descriptors from persistent homology, allowing the user to incorporate topological terms in the loss function. When optimizing a single real-valued function (the one-parameter setting), there is a canonical choice of descriptor for persistent homology: the barcode. The operation mapping a real-valued function to its barcode is differentiable almost everywhere, and the convergence of gradient descent for losses using barcodes is relatively well understood. When optimizing a vector-valued function (the multiparameter setting), there is no unique choice of descriptor for multiparameter persistent homology, and many distinct descriptors have been proposed. This calls for the development of a general framework for differentiability and optimization that applies to a wide range of multiparameter homological descriptors. In this article, we develop such a framework and show that it encompasses well-known descriptors of different flavors, such as signed barcodes and the multiparameter persistence landscape. We complement the theory with numerical experiments supporting the idea that optimizing multiparameter homological descriptors can lead to improved performances compared to optimizing one-parameter descriptors, even when using the simplest and most efficiently computable multiparameter descriptors.
Initial Investigation of Kolmogorov-Arnold Networks (KANs) as Feature Extractors for IMU Based Human Activity Recognition
In this work, we explore the use of a novel neural network architecture, the Kolmogorov-Arnold Networks (KANs) as feature extractors for sensor-based (specifically IMU) Human Activity Recognition (HAR). Where conventional networks perform a parameterized weighted sum of the inputs at each node and then feed the result into a statically defined nonlinearity, KANs perform non-linear computations represented by B-SPLINES on the edges leading to each node and then just sum up the inputs at the node. Instead of learning weights, the system learns the spline parameters. In the original work, such networks have been shown to be able to more efficiently and exactly learn sophisticated real valued functions e.g. in regression or PDE solution. We hypothesize that such an ability is also advantageous for computing low-level features for IMU-based HAR. To this end, we have implemented KAN as the feature extraction architecture for IMU-based human activity recognition tasks, including four architecture variations. We present an initial performance investigation of the KAN feature extractor on four public HAR datasets. It shows that the KAN-based feature extractor outperforms CNN-based extractors on all datasets while being more parameter efficient.
On resolvability, connectedness and pseudocompactness
We prove that: I. If L is a T_1 space, |L|>1 and d(L) leq kappa geq omega, then there is a submaximal dense subspace X of L^{2^kappa} such that |X|=Delta(X)=kappa; II. If cleqkappa=kappa^omega<lambda and 2^kappa=2^lambda, then there is a Tychonoff pseudocompact globally and locally connected space X such that |X|=Delta(X)=lambda and X is not kappa^+-resolvable; III. If omega_1leqkappa<lambda and 2^kappa=2^lambda, then there is a regular space X such that |X|=Delta(X)=lambda, all continuous real-valued functions on X are constant (so X is pseudocompact and connected) and X is not kappa^+-resolvable.
Real-World Reinforcement Learning of Active Perception Behaviors
A robot's instantaneous sensory observations do not always reveal task-relevant state information. Under such partial observability, optimal behavior typically involves explicitly acting to gain the missing information. Today's standard robot learning techniques struggle to produce such active perception behaviors. We propose a simple real-world robot learning recipe to efficiently train active perception policies. Our approach, asymmetric advantage weighted regression (AAWR), exploits access to "privileged" extra sensors at training time. The privileged sensors enable training high-quality privileged value functions that aid in estimating the advantage of the target policy. Bootstrapping from a small number of potentially suboptimal demonstrations and an easy-to-obtain coarse policy initialization, AAWR quickly acquires active perception behaviors and boosts task performance. In evaluations on 8 manipulation tasks on 3 robots spanning varying degrees of partial observability, AAWR synthesizes reliable active perception behaviors that outperform all prior approaches. When initialized with a "generalist" robot policy that struggles with active perception tasks, AAWR efficiently generates information-gathering behaviors that allow it to operate under severe partial observability for manipulation tasks. Website: https://penn-pal-lab.github.io/aawr/
Do As I Can, Not As I Say: Grounding Language in Robotic Affordances
Large language models can encode a wealth of semantic knowledge about the world. Such knowledge could be extremely useful to robots aiming to act upon high-level, temporally extended instructions expressed in natural language. However, a significant weakness of language models is that they lack real-world experience, which makes it difficult to leverage them for decision making within a given embodiment. For example, asking a language model to describe how to clean a spill might result in a reasonable narrative, but it may not be applicable to a particular agent, such as a robot, that needs to perform this task in a particular environment. We propose to provide real-world grounding by means of pretrained skills, which are used to constrain the model to propose natural language actions that are both feasible and contextually appropriate. The robot can act as the language model's "hands and eyes," while the language model supplies high-level semantic knowledge about the task. We show how low-level skills can be combined with large language models so that the language model provides high-level knowledge about the procedures for performing complex and temporally-extended instructions, while value functions associated with these skills provide the grounding necessary to connect this knowledge to a particular physical environment. We evaluate our method on a number of real-world robotic tasks, where we show the need for real-world grounding and that this approach is capable of completing long-horizon, abstract, natural language instructions on a mobile manipulator. The project's website and the video can be found at https://say-can.github.io/.
The Two-Pass Softmax Algorithm
The softmax (also called softargmax) function is widely used in machine learning models to normalize real-valued scores into a probability distribution. To avoid floating-point overflow, the softmax function is conventionally implemented in three passes: the first pass to compute the normalization constant, and two other passes to compute outputs from normalized inputs. We analyze two variants of the Three-Pass algorithm and demonstrate that in a well-optimized implementation on HPC-class processors performance of all three passes is limited by memory bandwidth. We then present a novel algorithm for softmax computation in just two passes. The proposed Two-Pass algorithm avoids both numerical overflow and the extra normalization pass by employing an exotic representation for intermediate values, where each value is represented as a pair of floating-point numbers: one representing the "mantissa" and another representing the "exponent". Performance evaluation demonstrates that on out-of-cache inputs on an Intel Skylake-X processor the new Two-Pass algorithm outperforms the traditional Three-Pass algorithm by up to 28% in AVX512 implementation, and by up to 18% in AVX2 implementation. The proposed Two-Pass algorithm also outperforms the traditional Three-Pass algorithm on Intel Broadwell and AMD Zen 2 processors. To foster reproducibility, we released an open-source implementation of the new Two-Pass Softmax algorithm and other experiments in this paper as a part of XNNPACK library at GitHub.com/google/XNNPACK.
Value Function is All You Need: A Unified Learning Framework for Ride Hailing Platforms
Large ride-hailing platforms, such as DiDi, Uber and Lyft, connect tens of thousands of vehicles in a city to millions of ride demands throughout the day, providing great promises for improving transportation efficiency through the tasks of order dispatching and vehicle repositioning. Existing studies, however, usually consider the two tasks in simplified settings that hardly address the complex interactions between the two, the real-time fluctuations between supply and demand, and the necessary coordinations due to the large-scale nature of the problem. In this paper we propose a unified value-based dynamic learning framework (V1D3) for tackling both tasks. At the center of the framework is a globally shared value function that is updated continuously using online experiences generated from real-time platform transactions. To improve the sample-efficiency and the robustness, we further propose a novel periodic ensemble method combining the fast online learning with a large-scale offline training scheme that leverages the abundant historical driver trajectory data. This allows the proposed framework to adapt quickly to the highly dynamic environment, to generalize robustly to recurrent patterns and to drive implicit coordinations among the population of managed vehicles. Extensive experiments based on real-world datasets show considerably improvements over other recently proposed methods on both tasks. Particularly, V1D3 outperforms the first prize winners of both dispatching and repositioning tracks in the KDD Cup 2020 RL competition, achieving state-of-the-art results on improving both total driver income and user experience related metrics.
QMIX: Monotonic Value Function Factorisation for Deep Multi-Agent Reinforcement Learning
In many real-world settings, a team of agents must coordinate their behaviour while acting in a decentralised way. At the same time, it is often possible to train the agents in a centralised fashion in a simulated or laboratory setting, where global state information is available and communication constraints are lifted. Learning joint action-values conditioned on extra state information is an attractive way to exploit centralised learning, but the best strategy for then extracting decentralised policies is unclear. Our solution is QMIX, a novel value-based method that can train decentralised policies in a centralised end-to-end fashion. QMIX employs a network that estimates joint action-values as a complex non-linear combination of per-agent values that condition only on local observations. We structurally enforce that the joint-action value is monotonic in the per-agent values, which allows tractable maximisation of the joint action-value in off-policy learning, and guarantees consistency between the centralised and decentralised policies. We evaluate QMIX on a challenging set of StarCraft II micromanagement tasks, and show that QMIX significantly outperforms existing value-based multi-agent reinforcement learning methods.
Robotic Offline RL from Internet Videos via Value-Function Pre-Training
Pre-training on Internet data has proven to be a key ingredient for broad generalization in many modern ML systems. What would it take to enable such capabilities in robotic reinforcement learning (RL)? Offline RL methods, which learn from datasets of robot experience, offer one way to leverage prior data into the robotic learning pipeline. However, these methods have a "type mismatch" with video data (such as Ego4D), the largest prior datasets available for robotics, since video offers observation-only experience without the action or reward annotations needed for RL methods. In this paper, we develop a system for leveraging large-scale human video datasets in robotic offline RL, based entirely on learning value functions via temporal-difference learning. We show that value learning on video datasets learns representations that are more conducive to downstream robotic offline RL than other approaches for learning from video data. Our system, called V-PTR, combines the benefits of pre-training on video data with robotic offline RL approaches that train on diverse robot data, resulting in value functions and policies for manipulation tasks that perform better, act robustly, and generalize broadly. On several manipulation tasks on a real WidowX robot, our framework produces policies that greatly improve over prior methods. Our video and additional details can be found at https://dibyaghosh.com/vptr/
Value function estimation using conditional diffusion models for control
A fairly reliable trend in deep reinforcement learning is that the performance scales with the number of parameters, provided a complimentary scaling in amount of training data. As the appetite for large models increases, it is imperative to address, sooner than later, the potential problem of running out of high-quality demonstrations. In this case, instead of collecting only new data via costly human demonstrations or risking a simulation-to-real transfer with uncertain effects, it would be beneficial to leverage vast amounts of readily-available low-quality data. Since classical control algorithms such as behavior cloning or temporal difference learning cannot be used on reward-free or action-free data out-of-the-box, this solution warrants novel training paradigms for continuous control. We propose a simple algorithm called Diffused Value Function (DVF), which learns a joint multi-step model of the environment-robot interaction dynamics using a diffusion model. This model can be efficiently learned from state sequences (i.e., without access to reward functions nor actions), and subsequently used to estimate the value of each action out-of-the-box. We show how DVF can be used to efficiently capture the state visitation measure for multiple controllers, and show promising qualitative and quantitative results on challenging robotics benchmarks.
BiPer: Binary Neural Networks using a Periodic Function
Quantized neural networks employ reduced precision representations for both weights and activations. This quantization process significantly reduces the memory requirements and computational complexity of the network. Binary Neural Networks (BNNs) are the extreme quantization case, representing values with just one bit. Since the sign function is typically used to map real values to binary values, smooth approximations are introduced to mimic the gradients during error backpropagation. Thus, the mismatch between the forward and backward models corrupts the direction of the gradient, causing training inconsistency problems and performance degradation. In contrast to current BNN approaches, we propose to employ a binary periodic (BiPer) function during binarization. Specifically, we use a square wave for the forward pass to obtain the binary values and employ the trigonometric sine function with the same period of the square wave as a differentiable surrogate during the backward pass. We demonstrate that this approach can control the quantization error by using the frequency of the periodic function and improves network performance. Extensive experiments validate the effectiveness of BiPer in benchmark datasets and network architectures, with improvements of up to 1% and 0.69% with respect to state-of-the-art methods in the classification task over CIFAR-10 and ImageNet, respectively. Our code is publicly available at https://github.com/edmav4/BiPer.
Approximate Axiomatization for Differentially-Defined Functions
This article establishes a complete approximate axiomatization for the real-closed field R expanded with all differentially-defined functions, including special functions such as sin(x), cos(x), e^x, dots. Every true sentence is provable up to some numerical approximation, and the truth of such approximations converge under mild conditions. Such an axiomatization is a fragment of the axiomatization for differential dynamic logic, and is therefore a finite extension of the axiomatization of real-closed fields. Furthermore, the numerical approximations approximate formulas containing special function symbols by FOL_{R} formulas, improving upon earlier decidability results only concerning closed sentences.
NavDP: Learning Sim-to-Real Navigation Diffusion Policy with Privileged Information Guidance
Learning navigation in dynamic open-world environments is an important yet challenging skill for robots. Most previous methods rely on precise localization and mapping or learn from expensive real-world demonstrations. In this paper, we propose the Navigation Diffusion Policy (NavDP), an end-to-end framework trained solely in simulation and can zero-shot transfer to different embodiments in diverse real-world environments. The key ingredient of NavDP's network is the combination of diffusion-based trajectory generation and a critic function for trajectory selection, which are conditioned on only local observation tokens encoded from a shared policy transformer. Given the privileged information of the global environment in simulation, we scale up the demonstrations of good quality to train the diffusion policy and formulate the critic value function targets with contrastive negative samples. Our demonstration generation approach achieves about 2,500 trajectories/GPU per day, 20times more efficient than real-world data collection, and results in a large-scale navigation dataset with 363.2km trajectories across 1244 scenes. Trained with this simulation dataset, NavDP achieves state-of-the-art performance and consistently outstanding generalization capability on quadruped, wheeled, and humanoid robots in diverse indoor and outdoor environments. In addition, we present a preliminary attempt at using Gaussian Splatting to make in-domain real-to-sim fine-tuning to further bridge the sim-to-real gap. Experiments show that adding such real-to-sim data can improve the success rate by 30\% without hurting its generalization capability.
A Universal Space of Arithmetic Functions:The Banach--Hilbert Hybrid Space U
We introduce a new functional space U designed to contain all classical arithmetic functions (Mobius, von Mangoldt, Euler phi, divisor functions, Dirichlet characters, etc.). The norm of U combines a Hilbert-type component, based on square summability of Dirichlet coefficients for every s > 1, with a Banach component controlling logarithmic averages of partial sums. We prove that U is a complete Banach space which embeds continuously all standard Hilbert spaces of Dirichlet series and allows natural actions of Dirichlet convolution and shift operators. This framework provides a unified analytic setting for classical and modern problems in multiplicative number theory.
A strictly monotone measure on tame sets that corresponds to a numerosity
Adapting standard methods from geometric measure theory, we provide an example of a polynomial-valued measure mu on tame sets in R^d which satisfies many desirable properties. Among these is strict monotonicity: the measure of a proper subset is strictly less than the measure of the whole set. Using techniques from non-standard analysis, we display that the domain of mu can be extended to all subsets of R^d (up to equivalence modulo infinitesimals). The resulting extension is a numerosity function that encodes the i-dimensional Hausdorff measure for all iin N, as well as the i-th intrinsic volume functions.
Complex Network for Complex Problems: A comparative study of CNN and Complex-valued CNN
Neural networks, especially convolutional neural networks (CNN), are one of the most common tools these days used in computer vision. Most of these networks work with real-valued data using real-valued features. Complex-valued convolutional neural networks (CV-CNN) can preserve the algebraic structure of complex-valued input data and have the potential to learn more complex relationships between the input and the ground-truth. Although some comparisons of CNNs and CV-CNNs for different tasks have been performed in the past, a large-scale investigation comparing different models operating on different tasks has not been conducted. Furthermore, because complex features contain both real and imaginary components, CV-CNNs have double the number of trainable parameters as real-valued CNNs in terms of the actual number of trainable parameters. Whether or not the improvements in performance with CV-CNN observed in the past have been because of the complex features or just because of having double the number of trainable parameters has not yet been explored. This paper presents a comparative study of CNN, CNNx2 (CNN with double the number of trainable parameters as the CNN), and CV-CNN. The experiments were performed using seven models for two different tasks - brain tumour classification and segmentation in brain MRIs. The results have revealed that the CV-CNN models outperformed the CNN and CNNx2 models.
On Enhancing Expressive Power via Compositions of Single Fixed-Size ReLU Network
This paper explores the expressive power of deep neural networks through the framework of function compositions. We demonstrate that the repeated compositions of a single fixed-size ReLU network exhibit surprising expressive power, despite the limited expressive capabilities of the individual network itself. Specifically, we prove by construction that L_2circ g^{circ r}circ mathcal{L}_1 can approximate 1-Lipschitz continuous functions on [0,1]^d with an error O(r^{-1/d}), where g is realized by a fixed-size ReLU network, mathcal{L}_1 and L_2 are two affine linear maps matching the dimensions, and g^{circ r} denotes the r-times composition of g. Furthermore, we extend such a result to generic continuous functions on [0,1]^d with the approximation error characterized by the modulus of continuity. Our results reveal that a continuous-depth network generated via a dynamical system has immense approximation power even if its dynamics function is time-independent and realized by a fixed-size ReLU network.
Convergence of (generalized) power series solutions of functional equations
Solutions of nonlinear functional equations are generally not expressed as a finite number of combinations and compositions of elementary and known special functions. One of the approaches to study them is, firstly, to find formal solutions (that is, series whose terms are described and ordered in some way but which do not converge apriori) and, secondly, to study the convergence or summability of these formal solutions (the existence and uniqueness of actual solutions with the given asymptotic expansion in a certain domain). In this paper we deal only with the convergence of formal functional series having the form of an infinite sum of power functions with (complex, in general) power exponents and satisfying analytical functional equations of the following three types: a differential, q-difference or Mahler equation.
Evolving Normalization-Activation Layers
Normalization layers and activation functions are fundamental components in deep networks and typically co-locate with each other. Here we propose to design them using an automated approach. Instead of designing them separately, we unify them into a single tensor-to-tensor computation graph, and evolve its structure starting from basic mathematical functions. Examples of such mathematical functions are addition, multiplication and statistical moments. The use of low-level mathematical functions, in contrast to the use of high-level modules in mainstream NAS, leads to a highly sparse and large search space which can be challenging for search methods. To address the challenge, we develop efficient rejection protocols to quickly filter out candidate layers that do not work well. We also use multi-objective evolution to optimize each layer's performance across many architectures to prevent overfitting. Our method leads to the discovery of EvoNorms, a set of new normalization-activation layers with novel, and sometimes surprising structures that go beyond existing design patterns. For example, some EvoNorms do not assume that normalization and activation functions must be applied sequentially, nor need to center the feature maps, nor require explicit activation functions. Our experiments show that EvoNorms work well on image classification models including ResNets, MobileNets and EfficientNets but also transfer well to Mask R-CNN with FPN/SpineNet for instance segmentation and to BigGAN for image synthesis, outperforming BatchNorm and GroupNorm based layers in many cases.
A Convenient Category for Higher-Order Probability Theory
Higher-order probabilistic programming languages allow programmers to write sophisticated models in machine learning and statistics in a succinct and structured way, but step outside the standard measure-theoretic formalization of probability theory. Programs may use both higher-order functions and continuous distributions, or even define a probability distribution on functions. But standard probability theory does not handle higher-order functions well: the category of measurable spaces is not cartesian closed. Here we introduce quasi-Borel spaces. We show that these spaces: form a new formalization of probability theory replacing measurable spaces; form a cartesian closed category and so support higher-order functions; form a well-pointed category and so support good proof principles for equational reasoning; and support continuous probability distributions. We demonstrate the use of quasi-Borel spaces for higher-order functions and probability by: showing that a well-known construction of probability theory involving random functions gains a cleaner expression; and generalizing de Finetti's theorem, that is a crucial theorem in probability theory, to quasi-Borel spaces.
ROOT: Rethinking Offline Optimization as Distributional Translation via Probabilistic Bridge
This paper studies the black-box optimization task which aims to find the maxima of a black-box function using a static set of its observed input-output pairs. This is often achieved via learning and optimizing a surrogate function with that offline data. Alternatively, it can also be framed as an inverse modeling task that maps a desired performance to potential input candidates that achieve it. Both approaches are constrained by the limited amount of offline data. To mitigate this limitation, we introduce a new perspective that casts offline optimization as a distributional translation task. This is formulated as learning a probabilistic bridge transforming an implicit distribution of low-value inputs (i.e., offline data) into another distribution of high-value inputs (i.e., solution candidates). Such probabilistic bridge can be learned using low- and high-value inputs sampled from synthetic functions that resemble the target function. These synthetic functions are constructed as the mean posterior of multiple Gaussian processes fitted with different parameterizations on the offline data, alleviating the data bottleneck. The proposed approach is evaluated on an extensive benchmark comprising most recent methods, demonstrating significant improvement and establishing a new state-of-the-art performance. Our code is publicly available at https://github.com/cuong-dm/ROOT.
Denotational validation of higher-order Bayesian inference
We present a modular semantic account of Bayesian inference algorithms for probabilistic programming languages, as used in data science and machine learning. Sophisticated inference algorithms are often explained in terms of composition of smaller parts. However, neither their theoretical justification nor their implementation reflects this modularity. We show how to conceptualise and analyse such inference algorithms as manipulating intermediate representations of probabilistic programs using higher-order functions and inductive types, and their denotational semantics. Semantic accounts of continuous distributions use measurable spaces. However, our use of higher-order functions presents a substantial technical difficulty: it is impossible to define a measurable space structure over the collection of measurable functions between arbitrary measurable spaces that is compatible with standard operations on those functions, such as function application. We overcome this difficulty using quasi-Borel spaces, a recently proposed mathematical structure that supports both function spaces and continuous distributions. We define a class of semantic structures for representing probabilistic programs, and semantic validity criteria for transformations of these representations in terms of distribution preservation. We develop a collection of building blocks for composing representations. We use these building blocks to validate common inference algorithms such as Sequential Monte Carlo and Markov Chain Monte Carlo. To emphasize the connection between the semantic manipulation and its traditional measure theoretic origins, we use Kock's synthetic measure theory. We demonstrate its usefulness by proving a quasi-Borel counterpart to the Metropolis-Hastings-Green theorem.
Evolving Reinforcement Learning Algorithms
We propose a method for meta-learning reinforcement learning algorithms by searching over the space of computational graphs which compute the loss function for a value-based model-free RL agent to optimize. The learned algorithms are domain-agnostic and can generalize to new environments not seen during training. Our method can both learn from scratch and bootstrap off known existing algorithms, like DQN, enabling interpretable modifications which improve performance. Learning from scratch on simple classical control and gridworld tasks, our method rediscovers the temporal-difference (TD) algorithm. Bootstrapped from DQN, we highlight two learned algorithms which obtain good generalization performance over other classical control tasks, gridworld type tasks, and Atari games. The analysis of the learned algorithm behavior shows resemblance to recently proposed RL algorithms that address overestimation in value-based methods.
Stop Regressing: Training Value Functions via Classification for Scalable Deep RL
Value functions are a central component of deep reinforcement learning (RL). These functions, parameterized by neural networks, are trained using a mean squared error regression objective to match bootstrapped target values. However, scaling value-based RL methods that use regression to large networks, such as high-capacity Transformers, has proven challenging. This difficulty is in stark contrast to supervised learning: by leveraging a cross-entropy classification loss, supervised methods have scaled reliably to massive networks. Observing this discrepancy, in this paper, we investigate whether the scalability of deep RL can also be improved simply by using classification in place of regression for training value functions. We demonstrate that value functions trained with categorical cross-entropy significantly improves performance and scalability in a variety of domains. These include: single-task RL on Atari 2600 games with SoftMoEs, multi-task RL on Atari with large-scale ResNets, robotic manipulation with Q-transformers, playing Chess without search, and a language-agent Wordle task with high-capacity Transformers, achieving state-of-the-art results on these domains. Through careful analysis, we show that the benefits of categorical cross-entropy primarily stem from its ability to mitigate issues inherent to value-based RL, such as noisy targets and non-stationarity. Overall, we argue that a simple shift to training value functions with categorical cross-entropy can yield substantial improvements in the scalability of deep RL at little-to-no cost.
Target-based Surrogates for Stochastic Optimization
We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.
Weighted least-squares approximation with determinantal point processes and generalized volume sampling
We consider the problem of approximating a function from L^2 by an element of a given m-dimensional space V_m, associated with some feature map varphi, using evaluations of the function at random points x_1,dots,x_n. After recalling some results on optimal weighted least-squares using independent and identically distributed points, we consider weighted least-squares using projection determinantal point processes (DPP) or volume sampling. These distributions introduce dependence between the points that promotes diversity in the selected features varphi(x_i). We first provide a generalized version of volume-rescaled sampling yielding quasi-optimality results in expectation with a number of samples n = O(mlog(m)), that means that the expected L^2 error is bounded by a constant times the best approximation error in L^2. Also, further assuming that the function is in some normed vector space H continuously embedded in L^2, we further prove that the approximation is almost surely bounded by the best approximation error measured in the H-norm. This includes the cases of functions from L^infty or reproducing kernel Hilbert spaces. Finally, we present an alternative strategy consisting in using independent repetitions of projection DPP (or volume sampling), yielding similar error bounds as with i.i.d. or volume sampling, but in practice with a much lower number of samples. Numerical experiments illustrate the performance of the different strategies.
AutoNumerics-Zero: Automated Discovery of State-of-the-Art Mathematical Functions
Computers calculate transcendental functions by approximating them through the composition of a few limited-precision instructions. For example, an exponential can be calculated with a Taylor series. These approximation methods were developed over the centuries by mathematicians, who emphasized the attainability of arbitrary precision. Computers, however, operate on few limited precision types, such as the popular float32. In this study, we show that when aiming for limited precision, existing approximation methods can be outperformed by programs automatically discovered from scratch by a simple evolutionary algorithm. In particular, over real numbers, our method can approximate the exponential function reaching orders of magnitude more precision for a given number of operations when compared to previous approaches. More practically, over float32 numbers and constrained to less than 1 ULP of error, the same method attains a speedup over baselines by generating code that triggers better XLA/LLVM compilation paths. In other words, in both cases, evolution searched a vast space of possible programs, without knowledge of mathematics, to discover previously unknown optimized approximations to high precision, for the first time. We also give evidence that these results extend beyond the exponential. The ubiquity of transcendental functions suggests that our method has the potential to reduce the cost of scientific computing applications.
A Constructive, Type-Theoretic Approach to Regression via Global Optimisation
We examine the connections between deterministic, complete, and general global optimisation of continuous functions and a general concept of regression from the perspective of constructive type theory via the concept of 'searchability'. We see how the property of convergence of global optimisation is a straightforward consequence of searchability. The abstract setting allows us to generalise searchability and continuity to higher-order functions, so that we can formulate novel convergence criteria for regression, derived from the convergence of global optimisation. All the theory and the motivating examples are fully formalised in the proof assistant Agda.
Learning Hierarchical Polynomials with Three-Layer Neural Networks
We study the problem of learning hierarchical polynomials over the standard Gaussian distribution with three-layer neural networks. We specifically consider target functions of the form h = g circ p where p : R^d rightarrow R is a degree k polynomial and g: R rightarrow R is a degree q polynomial. This function class generalizes the single-index model, which corresponds to k=1, and is a natural class of functions possessing an underlying hierarchical structure. Our main result shows that for a large subclass of degree k polynomials p, a three-layer neural network trained via layerwise gradient descent on the square loss learns the target h up to vanishing test error in mathcal{O}(d^k) samples and polynomial time. This is a strict improvement over kernel methods, which require widetilde Theta(d^{kq}) samples, as well as existing guarantees for two-layer networks, which require the target function to be low-rank. Our result also generalizes prior works on three-layer neural networks, which were restricted to the case of p being a quadratic. When p is indeed a quadratic, we achieve the information-theoretically optimal sample complexity mathcal{O}(d^2), which is an improvement over prior work~nichani2023provable requiring a sample size of widetildeTheta(d^4). Our proof proceeds by showing that during the initial stage of training the network performs feature learning to recover the feature p with mathcal{O}(d^k) samples. This work demonstrates the ability of three-layer neural networks to learn complex features and as a result, learn a broad class of hierarchical functions.
Complex-valued neural networks for machine learning on non-stationary physical data
Deep learning has become an area of interest in most scientific areas, including physical sciences. Modern networks apply real-valued transformations on the data. Particularly, convolutions in convolutional neural networks discard phase information entirely. Many deterministic signals, such as seismic data or electrical signals, contain significant information in the phase of the signal. We explore complex-valued deep convolutional networks to leverage non-linear feature maps. Seismic data commonly has a lowcut filter applied, to attenuate noise from ocean waves and similar long wavelength contributions. Discarding the phase information leads to low-frequency aliasing analogous to the Nyquist-Shannon theorem for high frequencies. In non-stationary data, the phase content can stabilize training and improve the generalizability of neural networks. While it has been shown that phase content can be restored in deep neural networks, we show how including phase information in feature maps improves both training and inference from deterministic physical data. Furthermore, we show that the reduction of parameters in a complex network outperforms larger real-valued networks.
A link between covering and coefficient theorems for holomorphic functions
Recently the author presented a new approach to solving the coefficient problems for various classes of holomorphic functions f(z) = sumlimits_0^infty c_n z^n, not necessarily univalent. This approach is based on lifting the given polynomial coefficient functionals J(f) = J(c_{m_1}, dots, c_{m_s}), 2 < c_{m_1} < dots < c_{m_s} < infty, onto the Bers fiber space over universal Teichmuller space and applying the analytic and geometric features of Teichm\"{u}ller spaces, especially the Bers isomorphism theorem for Teichmuller spaces of punctured Riemann surfaces. In this paper, we extend this approach to more general classes of functions. In particular, this provides a strengthening of de Branges' theorem solving the Bieberbach conjecture.
Complex Momentum for Optimization in Games
We generalize gradient descent with momentum for optimization in differentiable games to have complex-valued momentum. We give theoretical motivation for our method by proving convergence on bilinear zero-sum games for simultaneous and alternating updates. Our method gives real-valued parameter updates, making it a drop-in replacement for standard optimizers. We empirically demonstrate that complex-valued momentum can improve convergence in realistic adversarial games - like generative adversarial networks - by showing we can find better solutions with an almost identical computational cost. We also show a practical generalization to a complex-valued Adam variant, which we use to train BigGAN to better inception scores on CIFAR-10.
FAME: Adaptive Functional Attention with Expert Routing for Function-on-Function Regression
Functional data play a pivotal role across science and engineering, yet their infinite-dimensional nature makes representation learning challenging. Conventional statistical models depend on pre-chosen basis expansions or kernels, limiting the flexibility of data-driven discovery, while many deep-learning pipelines treat functions as fixed-grid vectors, ignoring inherent continuity. In this paper, we introduce Functional Attention with a Mixture-of-Experts (FAME), an end-to-end, fully data-driven framework for function-on-function regression. FAME forms continuous attention by coupling a bidirectional neural controlled differential equation with MoE-driven vector fields to capture intra-functional continuity, and further fuses change to inter-functional dependencies via multi-head cross attention. Extensive experiments on synthetic and real-world functional-regression benchmarks show that FAME achieves state-of-the-art accuracy, strong robustness to arbitrarily sampled discrete observations of functions.
Cauchy activation function and XNet
We have developed a novel activation function, named the Cauchy Activation Function. This function is derived from the Cauchy Integral Theorem in complex analysis and is specifically tailored for problems requiring high precision. This innovation has led to the creation of a new class of neural networks, which we call (Comple)XNet, or simply XNet. We will demonstrate that XNet is particularly effective for high-dimensional challenges such as image classification and solving Partial Differential Equations (PDEs). Our evaluations show that XNet significantly outperforms established benchmarks like MNIST and CIFAR-10 in computer vision, and offers substantial advantages over Physics-Informed Neural Networks (PINNs) in both low-dimensional and high-dimensional PDE scenarios.
Generalized Convolution and Efficient Language Recognition
Convolution is a broadly useful operation with applications including signal processing, machine learning, probability, optics, polynomial multiplication, and efficient parsing. Usually, however, this operation is understood and implemented in more specialized forms, hiding commonalities and limiting usefulness. This paper formulates convolution in the common algebraic framework of semirings and semimodules and populates that framework with various representation types. One of those types is the grand abstract template and itself generalizes to the free semimodule monad. Other representations serve varied uses and performance trade-offs, with implementations calculated from simple and regular specifications. Of particular interest is Brzozowski's method for regular expression matching. Uncovering the method's essence frees it from syntactic manipulations, while generalizing from boolean to weighted membership (such as multisets and probability distributions) and from sets to n-ary relations. The classic trie data structure then provides an elegant and efficient alternative to syntax. Pleasantly, polynomial arithmetic requires no additional implementation effort, works correctly with a variety of representations, and handles multivariate polynomials and power series with ease. Image convolution also falls out as a special case.
On the Correctness of Automatic Differentiation for Neural Networks with Machine-Representable Parameters
Recent work has shown that forward- and reverse- mode automatic differentiation (AD) over the reals is almost always correct in a mathematically precise sense. However, actual programs work with machine-representable numbers (e.g., floating-point numbers), not reals. In this paper, we study the correctness of AD when the parameter space of a neural network consists solely of machine-representable numbers. In particular, we analyze two sets of parameters on which AD can be incorrect: the incorrect set on which the network is differentiable but AD does not compute its derivative, and the non-differentiable set on which the network is non-differentiable. For a neural network with bias parameters, we first prove that the incorrect set is always empty. We then prove a tight bound on the size of the non-differentiable set, which is linear in the number of non-differentiabilities in activation functions, and give a simple necessary and sufficient condition for a parameter to be in this set. We further prove that AD always computes a Clarke subderivative even on the non-differentiable set. We also extend these results to neural networks possibly without bias parameters.
Analytical confidence intervals for the number of different objects in data streams
This paper develops a new mathematical-statistical approach to analyze a class of Flajolet-Martin algorithms (FMa), and provides analytical confidence intervals for the number F0 of distinct elements in a stream, based on Chernoff bounds. The class of FMa has reached a significant popularity in bigdata stream learning, and the attention of the literature has mainly been based on algorithmic aspects, basically complexity optimality, while the statistical analysis of these class of algorithms has been often faced heuristically. The analysis provided here shows deep connections with mathematical special functions and with extreme value theory. The latter connection may help in explaining heuristic considerations, while the first opens many numerical issues, faced at the end of the present paper. Finally, the algorithms are tested on an anonymized real data stream and MonteCarlo simulations are provided to support our analytical choice in this context.
Polynomial, trigonometric, and tropical activations
Which functions can be used as activations in deep neural networks? This article explores families of functions based on orthonormal bases, including the Hermite polynomial basis and the Fourier trigonometric basis, as well as a basis resulting from the tropicalization of a polynomial basis. Our study shows that, through simple variance-preserving initialization and without additional clamping mechanisms, these activations can successfully be used to train deep models, such as GPT-2 for next-token prediction on OpenWebText and ConvNeXt for image classification on ImageNet. Our work addresses the issue of exploding and vanishing activations and gradients, particularly prevalent with polynomial activations, and opens the door for improving the efficiency of large-scale learning tasks. Furthermore, our approach provides insight into the structure of neural networks, revealing that networks with polynomial activations can be interpreted as multivariate polynomial mappings. Finally, using Hermite interpolation, we show that our activations can closely approximate classical ones in pre-trained models by matching both the function and its derivative, making them especially useful for fine-tuning tasks. These activations are available in the torchortho library, which can be accessed via: https://github.com/K-H-Ismail/torchortho.
Lambert W-function and Gauss class number one conjecture
We study fixed points of a function arising in a representation theory of the Drinfeld modules by the bounded linear operators on a Hilbert space. We prove that such points correspond to number fields of the class number one. As an application, one gets a solution to the Gauss conjecture for the real quadratic fields of class number one.
Continuous-Time Functional Diffusion Processes
We introduce Functional Diffusion Processes (FDPs), which generalize score-based diffusion models to infinite-dimensional function spaces. FDPs require a new mathematical framework to describe the forward and backward dynamics, and several extensions to derive practical training objectives. These include infinite-dimensional versions of Girsanov theorem, in order to be able to compute an ELBO, and of the sampling theorem, in order to guarantee that functional evaluations in a countable set of points are equivalent to infinite-dimensional functions. We use FDPs to build a new breed of generative models in function spaces, which do not require specialized network architectures, and that can work with any kind of continuous data. Our results on real data show that FDPs achieve high-quality image generation, using a simple MLP architecture with orders of magnitude fewer parameters than existing diffusion models.
Three Decades of Activations: A Comprehensive Survey of 400 Activation Functions for Neural Networks
Neural networks have proven to be a highly effective tool for solving complex problems in many areas of life. Recently, their importance and practical usability have further been reinforced with the advent of deep learning. One of the important conditions for the success of neural networks is the choice of an appropriate activation function introducing non-linearity into the model. Many types of these functions have been proposed in the literature in the past, but there is no single comprehensive source containing their exhaustive overview. The absence of this overview, even in our experience, leads to redundancy and the unintentional rediscovery of already existing activation functions. To bridge this gap, our paper presents an extensive survey involving 400 activation functions, which is several times larger in scale than previous surveys. Our comprehensive compilation also references these surveys; however, its main goal is to provide the most comprehensive overview and systematization of previously published activation functions with links to their original sources. The secondary aim is to update the current understanding of this family of functions.
Advances in Set Function Learning: A Survey of Techniques and Applications
Set function learning has emerged as a crucial area in machine learning, addressing the challenge of modeling functions that take sets as inputs. Unlike traditional machine learning that involves fixed-size input vectors where the order of features matters, set function learning demands methods that are invariant to permutations of the input set, presenting a unique and complex problem. This survey provides a comprehensive overview of the current development in set function learning, covering foundational theories, key methodologies, and diverse applications. We categorize and discuss existing approaches, focusing on deep learning approaches, such as DeepSets and Set Transformer based methods, as well as other notable alternative methods beyond deep learning, offering a complete view of current models. We also introduce various applications and relevant datasets, such as point cloud processing and multi-label classification, highlighting the significant progress achieved by set function learning methods in these domains. Finally, we conclude by summarizing the current state of set function learning approaches and identifying promising future research directions, aiming to guide and inspire further advancements in this promising field.
Orchestrated Value Mapping for Reinforcement Learning
We present a general convergent class of reinforcement learning algorithms that is founded on two distinct principles: (1) mapping value estimates to a different space using arbitrary functions from a broad class, and (2) linearly decomposing the reward signal into multiple channels. The first principle enables incorporating specific properties into the value estimator that can enhance learning. The second principle, on the other hand, allows for the value function to be represented as a composition of multiple utility functions. This can be leveraged for various purposes, e.g. dealing with highly varying reward scales, incorporating a priori knowledge about the sources of reward, and ensemble learning. Combining the two principles yields a general blueprint for instantiating convergent algorithms by orchestrating diverse mapping functions over multiple reward channels. This blueprint generalizes and subsumes algorithms such as Q-Learning, Log Q-Learning, and Q-Decomposition. In addition, our convergence proof for this general class relaxes certain required assumptions in some of these algorithms. Based on our theory, we discuss several interesting configurations as special cases. Finally, to illustrate the potential of the design space that our theory opens up, we instantiate a particular algorithm and evaluate its performance on the Atari suite.
Automatic Functional Differentiation in JAX
We extend JAX with the capability to automatically differentiate higher-order functions (functionals and operators). By representing functions as a generalization of arrays, we seamlessly use JAX's existing primitive system to implement higher-order functions. We present a set of primitive operators that serve as foundational building blocks for constructing several key types of functionals. For every introduced primitive operator, we derive and implement both linearization and transposition rules, aligning with JAX's internal protocols for forward and reverse mode automatic differentiation. This enhancement allows for functional differentiation in the same syntax traditionally use for functions. The resulting functional gradients are themselves functions ready to be invoked in python. We showcase this tool's efficacy and simplicity through applications where functional derivatives are indispensable. The source code of this work is released at https://github.com/sail-sg/autofd .
What makes an image realistic?
The last decade has seen tremendous progress in our ability to generate realistic-looking data, be it images, text, audio, or video. Here, we discuss the closely related problem of quantifying realism, that is, designing functions that can reliably tell realistic data from unrealistic data. This problem turns out to be significantly harder to solve and remains poorly understood, despite its prevalence in machine learning and recent breakthroughs in generative AI. Drawing on insights from algorithmic information theory, we discuss why this problem is challenging, why a good generative model alone is insufficient to solve it, and what a good solution would look like. In particular, we introduce the notion of a universal critic, which unlike adversarial critics does not require adversarial training. While universal critics are not immediately practical, they can serve both as a North Star for guiding practical implementations and as a tool for analyzing existing attempts to capture realism.
Deep Sets
We study the problem of designing models for machine learning tasks defined on sets. In contrast to traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets that are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics poczos13aistats, to anomaly detection in piezometer data of embankment dams Jung15Exploration, to cosmology Ntampaka16Dynamical,Ravanbakhsh16ICML1. Our main theorem characterizes the permutation invariant functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We also derive the necessary and sufficient conditions for permutation equivariance in deep models. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.
Submodular Order Functions and Assortment Optimization
We define a new class of set functions that in addition to being monotone and subadditive, also admit a very limited form of submodularity defined over a permutation of the ground set. We refer to this permutation as a submodular order. This class of functions includes monotone submodular functions as a sub-family. To understand the importance of this structure in optimization problems we consider the problem of maximizing function value under various types of constraints. To demonstrate the modeling power of submodular order functions we show applications in two different settings. First, we apply our results to the extensively studied problem of assortment optimization. While the objectives in assortment optimization are known to be non-submodular (and non-monotone) even for simple choice models, we show that they are compatible with the notion of submodular order. Consequently, we obtain new and in some cases the first constant factor guarantee for constrained assortment optimization in fundamental choice models. As a second application of submodular order functions, we show an intriguing connection to the maximization of monotone submodular functions in the streaming model. We recover some best known guarantees for this problem as a corollary of our results.
Existence and uniqueness of solutions in the Lipschitz space of a functional equation and its application to the behavior of the paradise fish
In this paper, we examine the solvability of a functional equation in a Lipschitz space. As an application, we use our result to determine the existence and uniqueness of solutions to an equation describing a specific type of choice behavior model for the learning process of the paradise fish. Finally, we present some concrete examples where, using numerical techniques, we obtain approximations to the solution of the functional equation. As the straightforward Picard's iteration can be very expensive, we show that an analytical suboptimal least-squares approximation can be chosen in practice, resulting in very good accuracy.
SDF-StyleGAN: Implicit SDF-Based StyleGAN for 3D Shape Generation
We present a StyleGAN2-based deep learning approach for 3D shape generation, called SDF-StyleGAN, with the aim of reducing visual and geometric dissimilarity between generated shapes and a shape collection. We extend StyleGAN2 to 3D generation and utilize the implicit signed distance function (SDF) as the 3D shape representation, and introduce two novel global and local shape discriminators that distinguish real and fake SDF values and gradients to significantly improve shape geometry and visual quality. We further complement the evaluation metrics of 3D generative models with the shading-image-based Fr\'echet inception distance (FID) scores to better assess visual quality and shape distribution of the generated shapes. Experiments on shape generation demonstrate the superior performance of SDF-StyleGAN over the state-of-the-art. We further demonstrate the efficacy of SDF-StyleGAN in various tasks based on GAN inversion, including shape reconstruction, shape completion from partial point clouds, single-view image-based shape generation, and shape style editing. Extensive ablation studies justify the efficacy of our framework design. Our code and trained models are available at https://github.com/Zhengxinyang/SDF-StyleGAN.
Provable General Function Class Representation Learning in Multitask Bandits and MDPs
While multitask representation learning has become a popular approach in reinforcement learning (RL) to boost the sample efficiency, the theoretical understanding of why and how it works is still limited. Most previous analytical works could only assume that the representation function is already known to the agent or from linear function class, since analyzing general function class representation encounters non-trivial technical obstacles such as generalization guarantee, formulation of confidence bound in abstract function space, etc. However, linear-case analysis heavily relies on the particularity of linear function class, while real-world practice usually adopts general non-linear representation functions like neural networks. This significantly reduces its applicability. In this work, we extend the analysis to general function class representations. Specifically, we consider an agent playing M contextual bandits (or MDPs) concurrently and extracting a shared representation function phi from a specific function class Phi using our proposed Generalized Functional Upper Confidence Bound algorithm (GFUCB). We theoretically validate the benefit of multitask representation learning within general function class for bandits and linear MDP for the first time. Lastly, we conduct experiments to demonstrate the effectiveness of our algorithm with neural net representation.
Density estimation using Real NVP
Unsupervised learning of probabilistic models is a central yet challenging problem in machine learning. Specifically, designing models with tractable learning, sampling, inference and evaluation is crucial in solving this task. We extend the space of such models using real-valued non-volume preserving (real NVP) transformations, a set of powerful invertible and learnable transformations, resulting in an unsupervised learning algorithm with exact log-likelihood computation, exact sampling, exact inference of latent variables, and an interpretable latent space. We demonstrate its ability to model natural images on four datasets through sampling, log-likelihood evaluation and latent variable manipulations.
Time Transitive Functions for Zero Knowledge Proofs
Verifiable delay functions have found a lot of applications in blockchain technology in recent times. Continuous verifiable delay functions are an improvement over the basic notion of VDFs with recursive capabilities. We are proposing the application of VDF for constructing more space time-efficient provers and simulators required for the iterative non-interactive zero-knowledge systems.
Principled Approaches for Extending Neural Architectures to Function Spaces for Operator Learning
A wide range of scientific problems, such as those described by continuous-time dynamical systems and partial differential equations (PDEs), are naturally formulated on function spaces. While function spaces are typically infinite-dimensional, deep learning has predominantly advanced through applications in computer vision and natural language processing that focus on mappings between finite-dimensional spaces. Such fundamental disparities in the nature of the data have limited neural networks from achieving a comparable level of success in scientific applications as seen in other fields. Neural operators are a principled way to generalize neural networks to mappings between function spaces, offering a pathway to replicate deep learning's transformative impact on scientific problems. For instance, neural operators can learn solution operators for entire classes of PDEs, e.g., physical systems with different boundary conditions, coefficient functions, and geometries. A key factor in deep learning's success has been the careful engineering of neural architectures through extensive empirical testing. Translating these neural architectures into neural operators allows operator learning to enjoy these same empirical optimizations. However, prior neural operator architectures have often been introduced as standalone models, not directly derived as extensions of existing neural network architectures. In this paper, we identify and distill the key principles for constructing practical implementations of mappings between infinite-dimensional function spaces. Using these principles, we propose a recipe for converting several popular neural architectures into neural operators with minimal modifications. This paper aims to guide practitioners through this process and details the steps to make neural operators work in practice. Our code can be found at https://github.com/neuraloperator/NNs-to-NOs
Policy Evaluation and Temporal-Difference Learning in Continuous Time and Space: A Martingale Approach
We propose a unified framework to study policy evaluation (PE) and the associated temporal difference (TD) methods for reinforcement learning in continuous time and space. We show that PE is equivalent to maintaining the martingale condition of a process. From this perspective, we find that the mean--square TD error approximates the quadratic variation of the martingale and thus is not a suitable objective for PE. We present two methods to use the martingale characterization for designing PE algorithms. The first one minimizes a "martingale loss function", whose solution is proved to be the best approximation of the true value function in the mean--square sense. This method interprets the classical gradient Monte-Carlo algorithm. The second method is based on a system of equations called the "martingale orthogonality conditions" with test functions. Solving these equations in different ways recovers various classical TD algorithms, such as TD(lambda), LSTD, and GTD. Different choices of test functions determine in what sense the resulting solutions approximate the true value function. Moreover, we prove that any convergent time-discretized algorithm converges to its continuous-time counterpart as the mesh size goes to zero, and we provide the convergence rate. We demonstrate the theoretical results and corresponding algorithms with numerical experiments and applications.
Boolformer: Symbolic Regression of Logic Functions with Transformers
In this work, we introduce Boolformer, the first Transformer architecture trained to perform end-to-end symbolic regression of Boolean functions. First, we show that it can predict compact formulas for complex functions which were not seen during training, when provided a clean truth table. Then, we demonstrate its ability to find approximate expressions when provided incomplete and noisy observations. We evaluate the Boolformer on a broad set of real-world binary classification datasets, demonstrating its potential as an interpretable alternative to classic machine learning methods. Finally, we apply it to the widespread task of modelling the dynamics of gene regulatory networks. Using a recent benchmark, we show that Boolformer is competitive with state-of-the art genetic algorithms with a speedup of several orders of magnitude. Our code and models are available publicly.
Accurate Computation of the Logarithm of Modified Bessel Functions on GPUs
Bessel functions are critical in scientific computing for applications such as machine learning, protein structure modeling, and robotics. However, currently, available routines lack precision or fail for certain input ranges, such as when the order v is large, and GPU-specific implementations are limited. We address the precision limitations of current numerical implementations while dramatically improving the runtime. We propose two novel algorithms for computing the logarithm of modified Bessel functions of the first and second kinds by computing intermediate values on a logarithmic scale. Our algorithms are robust and never have issues with underflows or overflows while having relative errors on the order of machine precision, even for inputs where existing libraries fail. In C++/CUDA, our algorithms have median and maximum speedups of 45x and 6150x for GPU and 17x and 3403x for CPU, respectively, over the ranges of inputs and third-party libraries tested. Compared to SciPy, the algorithms have median and maximum speedups of 77x and 300x for GPU and 35x and 98x for CPU, respectively, over the tested inputs. The ability to robustly compute a solution and the low relative errors allow us to fit von Mises-Fisher, vMF, distributions to high-dimensional neural network features. This is, e.g., relevant for uncertainty quantification in metric learning. We obtain image feature data by processing CIFAR10 training images with the convolutional layers of a pre-trained ResNet50. We successfully fit vMF distributions to 2048-, 8192-, and 32768-dimensional image feature data using our algorithms. Our approach provides fast and accurate results while existing implementations in SciPy and mpmath fail to fit successfully. Our approach is readily implementable on GPUs, and we provide a fast open-source implementation alongside this paper.
Commutative Width and Depth Scaling in Deep Neural Networks
This paper is the second in the series Commutative Scaling of Width and Depth (WD) about commutativity of infinite width and depth limits in deep neural networks. Our aim is to understand the behaviour of neural functions (functions that depend on a neural network model) as width and depth go to infinity (in some sense), and eventually identify settings under which commutativity holds, i.e. the neural function tends to the same limit no matter how width and depth limits are taken. In this paper, we formally introduce and define the commutativity framework, and discuss its implications on neural network design and scaling. We study commutativity for the neural covariance kernel which reflects how network layers separate data. Our findings extend previous results established in [55] by showing that taking the width and depth to infinity in a deep neural network with skip connections, when branches are suitably scaled to avoid exploding behaviour, result in the same covariance structure no matter how that limit is taken. This has a number of theoretical and practical implications that we discuss in the paper. The proof techniques in this paper are novel and rely on tools that are more accessible to readers who are not familiar with stochastic calculus (used in the proofs of WD(I))).
Categories of Differentiable Polynomial Circuits for Machine Learning
Reverse derivative categories (RDCs) have recently been shown to be a suitable semantic framework for studying machine learning algorithms. Whereas emphasis has been put on training methodologies, less attention has been devoted to particular model classes: the concrete categories whose morphisms represent machine learning models. In this paper we study presentations by generators and equations of classes of RDCs. In particular, we propose polynomial circuits as a suitable machine learning model. We give an axiomatisation for these circuits and prove a functional completeness result. Finally, we discuss the use of polynomial circuits over specific semirings to perform machine learning with discrete values.
What do you Mean? The Role of the Mean Function in Bayesian Optimisation
Bayesian optimisation is a popular approach for optimising expensive black-box functions. The next location to be evaluated is selected via maximising an acquisition function that balances exploitation and exploration. Gaussian processes, the surrogate models of choice in Bayesian optimisation, are often used with a constant prior mean function equal to the arithmetic mean of the observed function values. We show that the rate of convergence can depend sensitively on the choice of mean function. We empirically investigate 8 mean functions (constant functions equal to the arithmetic mean, minimum, median and maximum of the observed function evaluations, linear, quadratic polynomials, random forests and RBF networks), using 10 synthetic test problems and two real-world problems, and using the Expected Improvement and Upper Confidence Bound acquisition functions. We find that for design dimensions ge5 using a constant mean function equal to the worst observed quality value is consistently the best choice on the synthetic problems considered. We argue that this worst-observed-quality function promotes exploitation leading to more rapid convergence. However, for the real-world tasks the more complex mean functions capable of modelling the fitness landscape may be effective, although there is no clearly optimum choice.
Nearest Neighbour Based Estimates of Gradients: Sharp Nonasymptotic Bounds and Applications
Motivated by a wide variety of applications, ranging from stochastic optimization to dimension reduction through variable selection, the problem of estimating gradients accurately is of crucial importance in statistics and learning theory. We consider here the classic regression setup, where a real valued square integrable r.v. Y is to be predicted upon observing a (possibly high dimensional) random vector X by means of a predictive function f(X) as accurately as possible in the mean-squared sense and study a nearest-neighbour-based pointwise estimate of the gradient of the optimal predictive function, the regression function m(x)=E[Ymid X=x]. Under classic smoothness conditions combined with the assumption that the tails of Y-m(X) are sub-Gaussian, we prove nonasymptotic bounds improving upon those obtained for alternative estimation methods. Beyond the novel theoretical results established, several illustrative numerical experiments have been carried out. The latter provide strong empirical evidence that the estimation method proposed works very well for various statistical problems involving gradient estimation, namely dimensionality reduction, stochastic gradient descent optimization and quantifying disentanglement.
Reverse derivative categories
The reverse derivative is a fundamental operation in machine learning and automatic differentiation. This paper gives a direct axiomatization of a category with a reverse derivative operation, in a similar style to that given by Cartesian differential categories for a forward derivative. Intriguingly, a category with a reverse derivative also has a forward derivative, but the converse is not true. In fact, we show explicitly what a forward derivative is missing: a reverse derivative is equivalent to a forward derivative with a dagger structure on its subcategory of linear maps. Furthermore, we show that these linear maps form an additively enriched category with dagger biproducts.
Order Theory in the Context of Machine Learning
The paper ``Tropical Geometry of Deep Neural Networks'' by L. Zhang et al. introduces an equivalence between integer-valued neural networks (IVNN) with ReLU_{t} and tropical rational functions, which come with a map to polytopes. Here, IVNN refers to a network with integer weights but real biases, and ReLU_{t} is defined as ReLU_{t}(x)=max(x,t) for tinRcup{-infty}. For every poset with n points, there exists a corresponding order polytope, i.e., a convex polytope in the unit cube [0,1]^n whose coordinates obey the inequalities of the poset. We study neural networks whose associated polytope is an order polytope. We then explain how posets with four points induce neural networks that can be interpreted as 2times 2 convolutional filters. These poset filters can be added to any neural network, not only IVNN. Similarly to maxout, poset pooling filters update the weights of the neural network during backpropagation with more precision than average pooling, max pooling, or mixed pooling, without the need to train extra parameters. We report experiments that support our statements. We also define the structure of algebra over the operad of posets on poset neural networks and tropical polynomials. This formalism allows us to study the composition of poset neural network arquitectures and the effect on their corresponding Newton polytopes, via the introduction of the generalization of two operations on polytopes: the Minkowski sum and the convex envelope.
B-Coder: Value-Based Deep Reinforcement Learning for Program Synthesis
Program synthesis aims to create accurate, executable code from natural language descriptions. This field has leveraged the power of reinforcement learning (RL) in conjunction with large language models (LLMs), significantly enhancing code generation capabilities. This integration focuses on directly optimizing functional correctness, transcending conventional supervised losses. While current literature predominantly favors policy-based algorithms, attributes of program synthesis suggest a natural compatibility with value-based methods. This stems from rich collection of off-policy programs developed by human programmers, and the straightforward verification of generated programs through automated unit testing (i.e. easily obtainable rewards in RL language). Diverging from the predominant use of policy-based algorithms, our work explores the applicability of value-based approaches, leading to the development of our B-Coder (pronounced Bellman coder). Yet, training value-based methods presents challenges due to the enormous search space inherent to program synthesis. To this end, we propose an initialization protocol for RL agents utilizing pre-trained LMs and a conservative Bellman operator to reduce training complexities. Moreover, we demonstrate how to leverage the learned value functions as a dual strategy to post-process generated programs. Our empirical evaluations demonstrated B-Coder's capability in achieving state-of-the-art performance compared with policy-based methods. Remarkably, this achievement is reached with minimal reward engineering effort, highlighting the effectiveness of value-based RL, independent of reward designs.
Minimal Width for Universal Property of Deep RNN
A recurrent neural network (RNN) is a widely used deep-learning network for dealing with sequential data. Imitating a dynamical system, an infinite-width RNN can approximate any open dynamical system in a compact domain. In general, deep networks with bounded widths are more effective than wide networks in practice; however, the universal approximation theorem for deep narrow structures has yet to be extensively studied. In this study, we prove the universality of deep narrow RNNs and show that the upper bound of the minimum width for universality can be independent of the length of the data. Specifically, we show that a deep RNN with ReLU activation can approximate any continuous function or L^p function with the widths d_x+d_y+2 and max{d_x+1,d_y}, respectively, where the target function maps a finite sequence of vectors in R^{d_x} to a finite sequence of vectors in R^{d_y}. We also compute the additional width required if the activation function is tanh or more. In addition, we prove the universality of other recurrent networks, such as bidirectional RNNs. Bridging a multi-layer perceptron and an RNN, our theory and proof technique can be an initial step toward further research on deep RNNs.
Sample complexity of data-driven tuning of model hyperparameters in neural networks with structured parameter-dependent dual function
Modern machine learning algorithms, especially deep learning based techniques, typically involve careful hyperparameter tuning to achieve the best performance. Despite the surge of intense interest in practical techniques like Bayesian optimization and random search based approaches to automating this laborious and compute intensive task, the fundamental learning theoretic complexity of tuning hyperparameters for deep neural networks is poorly understood. Inspired by this glaring gap, we initiate the formal study of hyperparameter tuning complexity in deep learning through a recently introduced data driven setting. We assume that we have a series of deep learning tasks, and we have to tune hyperparameters to do well on average over the distribution of tasks. A major difficulty is that the utility function as a function of the hyperparameter is very volatile and furthermore, it is given implicitly by an optimization problem over the model parameters. To tackle this challenge, we introduce a new technique to characterize the discontinuities and oscillations of the utility function on any fixed problem instance as we vary the hyperparameter; our analysis relies on subtle concepts including tools from differential/algebraic geometry and constrained optimization. This can be used to show that the learning theoretic complexity of the corresponding family of utility functions is bounded. We instantiate our results and provide sample complexity bounds for concrete applications tuning a hyperparameter that interpolates neural activation functions and setting the kernel parameter in graph neural networks.
A Survey of Quantization Methods for Efficient Neural Network Inference
As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.
Learning to Reason with Neural Networks: Generalization, Unseen Data and Boolean Measures
This paper considers the Pointer Value Retrieval (PVR) benchmark introduced in [ZRKB21], where a 'reasoning' function acts on a string of digits to produce the label. More generally, the paper considers the learning of logical functions with gradient descent (GD) on neural networks. It is first shown that in order to learn logical functions with gradient descent on symmetric neural networks, the generalization error can be lower-bounded in terms of the noise-stability of the target function, supporting a conjecture made in [ZRKB21]. It is then shown that in the distribution shift setting, when the data withholding corresponds to freezing a single feature (referred to as canonical holdout), the generalization error of gradient descent admits a tight characterization in terms of the Boolean influence for several relevant architectures. This is shown on linear models and supported experimentally on other models such as MLPs and Transformers. In particular, this puts forward the hypothesis that for such architectures and for learning logical functions such as PVR functions, GD tends to have an implicit bias towards low-degree representations, which in turn gives the Boolean influence for the generalization error under quadratic loss.
Comparative Analysis of Phenomenological Approximations of the Light Curves of Eclipsing Binary Stars with Additional Parameters
A comparative analysis of the special shapes (patterns, profiles) of the eclipses applied for the phenomenological modeling of the light curves of eclipsing binary stars is conducted. Families of functions are considered, generalizing local approximations (Andronov, 2010, 2012) and the functions theoretically unlimited in a width, based on a Gaussian (Mikulasek, 2015). For an analysis, the light curve of the star V0882 Car = 2MASS J11080308 - 6145589 of the classic Algol - subtype (\beta Persei) is used. By analyzing dozens of modified functions with additional parameters, it was chosen the 14 best ones according to the criterion of the least sum of squares of deviations. The best are the functions with an additional parameter, describing profiles, which are limited in phase.
LegendreTron: Uprising Proper Multiclass Loss Learning
Loss functions serve as the foundation of supervised learning and are often chosen prior to model development. To avoid potentially ad hoc choices of losses, statistical decision theory describes a desirable property for losses known as properness, which asserts that Bayes' rule is optimal. Recent works have sought to learn losses and models jointly. Existing methods do this by fitting an inverse canonical link function which monotonically maps R to [0,1] to estimate probabilities for binary problems. In this paper, we extend monotonicity to maps between R^{C-1} and the projected probability simplex Delta^{C-1} by using monotonicity of gradients of convex functions. We present {\sc LegendreTron} as a novel and practical method that jointly learns proper canonical losses and probabilities for multiclass problems. Tested on a benchmark of domains with up to 1,000 classes, our experimental results show that our method consistently outperforms the natural multiclass baseline under a t-test at 99% significance on all datasets with greater than 10 classes.
Unification of popular artificial neural network activation functions
We present a unified representation of the most popular neural network activation functions. Adopting Mittag-Leffler functions of fractional calculus, we propose a flexible and compact functional form that is able to interpolate between various activation functions and mitigate common problems in training neural networks such as vanishing and exploding gradients. The presented gated representation extends the scope of fixed-shape activation functions to their adaptive counterparts whose shape can be learnt from the training data. The derivatives of the proposed functional form can also be expressed in terms of Mittag-Leffler functions making it a suitable candidate for gradient-based backpropagation algorithms. By training multiple neural networks of different complexities on various datasets with different sizes, we demonstrate that adopting a unified gated representation of activation functions offers a promising and affordable alternative to individual built-in implementations of activation functions in conventional machine learning frameworks.
Decodable and Sample Invariant Continuous Object Encoder
We propose Hyper-Dimensional Function Encoding (HDFE). Given samples of a continuous object (e.g. a function), HDFE produces an explicit vector representation of the given object, invariant to the sample distribution and density. Sample distribution and density invariance enables HDFE to consistently encode continuous objects regardless of their sampling, and therefore allows neural networks to receive continuous objects as inputs for machine learning tasks, such as classification and regression. Besides, HDFE does not require any training and is proved to map the object into an organized embedding space, which facilitates the training of the downstream tasks. In addition, the encoding is decodable, which enables neural networks to regress continuous objects by regressing their encodings. Therefore, HDFE serves as an interface for processing continuous objects. We apply HDFE to function-to-function mapping, where vanilla HDFE achieves competitive performance as the state-of-the-art algorithm. We apply HDFE to point cloud surface normal estimation, where a simple replacement from PointNet to HDFE leads to immediate 12% and 15% error reductions in two benchmarks. In addition, by integrating HDFE into the PointNet-based SOTA network, we improve the SOTA baseline by 2.5% and 1.7% in the same benchmarks.
The continuous extension of the logarithmic double layer potential to the Ahlfors-regular boundary
For the real part of the Cauchy-type integral that is known to be the logarithmic potential of the double layer, a necessary and sufficient condition for the continuous extension to the Ahlfors-regular boundary is established.
Stronger Normalization-Free Transformers
Although normalization layers have long been viewed as indispensable components of deep learning architectures, the recent introduction of Dynamic Tanh (DyT) has demonstrated that alternatives are possible. The point-wise function DyT constrains extreme values for stable convergence and reaches normalization-level performance; this work seeks further for function designs that can surpass it. We first study how the intrinsic properties of point-wise functions influence training and performance. Building on these findings, we conduct a large-scale search for a more effective function design. Through this exploration, we introduce Derf(x) = erf(αx + s), where erf(x) is the rescaled Gaussian cumulative distribution function, and identify it as the most performant design. Derf outperforms LayerNorm, RMSNorm, and DyT across a wide range of domains, including vision (image recognition and generation), speech representation, and DNA sequence modeling. Our findings suggest that the performance gains of Derf largely stem from its improved generalization rather than stronger fitting capacity. Its simplicity and stronger performance make Derf a practical choice for normalization-free Transformer architectures.
An Informal Introduction to Multiplet Neural Networks
In the artificial neuron, I replace the dot product with the weighted Lehmer mean, which may emulate different cases of a generalized mean. The single neuron instance is replaced by a multiplet of neurons which have the same averaging weights. A group of outputs feed forward, in lieu of the single scalar. The generalization parameter is typically set to a different value for each neuron in the multiplet. I further extend the concept to a multiplet taken from the Gini mean. Derivatives with respect to the weight parameters and with respect to the two generalization parameters are given. Some properties of the network are investigated, showing the capacity to emulate the classical exclusive-or problem organically in two layers and perform some multiplication and division. The network can instantiate truncated power series and variants, which can be used to approximate different functions, provided that parameters are constrained. Moreover, a mean case slope score is derived that can facilitate a learning-rate novelty based on homogeneity of the selected elements. The multiplet neuron equation provides a way to segment regularization timeframes and approaches.
Matrix Calculus (for Machine Learning and Beyond)
This course, intended for undergraduates familiar with elementary calculus and linear algebra, introduces the extension of differential calculus to functions on more general vector spaces, such as functions that take as input a matrix and return a matrix inverse or factorization, derivatives of ODE solutions, and even stochastic derivatives of random functions. It emphasizes practical computational applications, such as large-scale optimization and machine learning, where derivatives must be re-imagined in order to be propagated through complicated calculations. The class also discusses efficiency concerns leading to "adjoint" or "reverse-mode" differentiation (a.k.a. "backpropagation"), and gives a gentle introduction to modern automatic differentiation (AD) techniques.
Handbook of Convergence Theorems for (Stochastic) Gradient Methods
This is a handbook of simple proofs of the convergence of gradient and stochastic gradient descent type methods. We consider functions that are Lipschitz, smooth, convex, strongly convex, and/or Polyak-{\L}ojasiewicz functions. Our focus is on ``good proofs'' that are also simple. Each section can be consulted separately. We start with proofs of gradient descent, then on stochastic variants, including minibatching and momentum. Then move on to nonsmooth problems with the subgradient method, the proximal gradient descent and their stochastic variants. Our focus is on global convergence rates and complexity rates. Some slightly less common proofs found here include that of SGD (Stochastic gradient descent) with a proximal step, with momentum, and with mini-batching without replacement.
Green functions of Energized complexes
If h is a ring-valued function on a simplicial complex G we can define two matrices L and g, where the matrix entries are the h energy of homoclinic intersections. We know that the sum over all h values on G is equal to the sum of the Green matrix entries g(x,y). We also have already seen that that the determinants of L or g are both the product of the h(x). In the case where h(x) is the parity of dimension, the sum of the energy values was the standard Euler characteristic and the determinant was a unit. If h(x) was the unit in the ring then L,g are integral quadratic forms which are isospectral and inverse matrices of each other. We prove here that the quadratic energy expression summing over all pairs h(x)^* h(y) of intersecting sets is a signed sum of squares of Green function entries. The quadratic energy expression is Wu characteristic in the case when h is dimension parity. For general h, the quadratic energy expression resembles an Ising Heisenberg type interaction. The conjugate of g is the inverse of L if h takes unit values in a normed ring or in the group of unitary operators in an operator algebra.
Probability, valuations, hyperspace: Three monads on Top and the support as a morphism
We consider three monads on Top, the category of topological spaces, which formalize topological aspects of probability and possibility in categorical terms. The first one is the Hoare hyperspace monad H, which assigns to every space its space of closed subsets equipped with the lower Vietoris topology. The second is the monad V of continuous valuations, also known as the extended probabilistic powerdomain. We construct both monads in a unified way in terms of double dualization. This reveals a close analogy between them, and allows us to prove that the operation of taking the support of a continuous valuation is a morphism of monads from V to H. In particular, this implies that every H-algebra (topological complete semilattice) is also a V-algebra. Third, we show that V can be restricted to a submonad of tau-smooth probability measures on Top. By composing these two morphisms of monads, we obtain that taking the support of a tau-smooth probability measure is also a morphism of monads.
Categorical Stochastic Processes and Likelihood
In this work we take a Category Theoretic perspective on the relationship between probabilistic modeling and function approximation. We begin by defining two extensions of function composition to stochastic process subordination: one based on the co-Kleisli category under the comonad (Omega x -) and one based on the parameterization of a category with a Lawvere theory. We show how these extensions relate to the category Stoch and other Markov Categories. Next, we apply the Para construction to extend stochastic processes to parameterized statistical models and we define a way to compose the likelihood functions of these models. We conclude with a demonstration of how the Maximum Likelihood Estimation procedure defines an identity-on-objects functor from the category of statistical models to the category of Learners. Code to accompany this paper can be found at https://github.com/dshieble/Categorical_Stochastic_Processes_and_Likelihood
Multi-layer random features and the approximation power of neural networks
A neural architecture with randomly initialized weights, in the infinite width limit, is equivalent to a Gaussian Random Field whose covariance function is the so-called Neural Network Gaussian Process kernel (NNGP). We prove that a reproducing kernel Hilbert space (RKHS) defined by the NNGP contains only functions that can be approximated by the architecture. To achieve a certain approximation error the required number of neurons in each layer is defined by the RKHS norm of the target function. Moreover, the approximation can be constructed from a supervised dataset by a random multi-layer representation of an input vector, together with training of the last layer's weights. For a 2-layer NN and a domain equal to an n-1-dimensional sphere in {mathbb R}^n, we compare the number of neurons required by Barron's theorem and by the multi-layer features construction. We show that if eigenvalues of the integral operator of the NNGP decay slower than k^{-n-2{3}} where k is an order of an eigenvalue, then our theorem guarantees a more succinct neural network approximation than Barron's theorem. We also make some computational experiments to verify our theoretical findings. Our experiments show that realistic neural networks easily learn target functions even when both theorems do not give any guarantees.
Minimum Width of Leaky-ReLU Neural Networks for Uniform Universal Approximation
The study of universal approximation properties (UAP) for neural networks (NN) has a long history. When the network width is unlimited, only a single hidden layer is sufficient for UAP. In contrast, when the depth is unlimited, the width for UAP needs to be not less than the critical width w^*_{min}=max(d_x,d_y), where d_x and d_y are the dimensions of the input and output, respectively. Recently, cai2022achieve shows that a leaky-ReLU NN with this critical width can achieve UAP for L^p functions on a compact domain K, i.e., the UAP for L^p(K,R^{d_y}). This paper examines a uniform UAP for the function class C(K,R^{d_y}) and gives the exact minimum width of the leaky-ReLU NN as w_{min}=max(d_x+1,d_y)+1_{d_y=d_x+1}, which involves the effects of the output dimensions. To obtain this result, we propose a novel lift-flow-discretization approach that shows that the uniform UAP has a deep connection with topological theory.
Divide-and-Conquer Meets Consensus: Unleashing the Power of Functions in Code Generation
Despite recent progress made by large language models in code generation, they still struggle with programs that meet complex requirements. Recent work utilizes plan-and-solve decomposition to decrease the complexity and leverage self-tests to refine the generated program. Yet, planning deep-inside requirements in advance can be challenging, and the tests need to be accurate to accomplish self-improvement. To this end, we propose FunCoder, a code generation framework incorporating the divide-and-conquer strategy with functional consensus. Specifically, FunCoder recursively branches off sub-functions as smaller goals during code generation, represented by a tree hierarchy. These sub-functions are then composited to attain more complex objectives. Additionally, we designate functions via a consensus formed by identifying similarities in program behavior, mitigating error propagation. FunCoder outperforms state-of-the-art methods by +9.8% on average in HumanEval, MBPP, xCodeEval and MATH with GPT-3.5 and GPT-4. Moreover, our method demonstrates superiority on smaller models: With FunCoder, StableCode-3b surpasses GPT-3.5 by +18.6% and achieves 97.7% of GPT-4's performance on HumanEval. Further analysis reveals that our proposed dynamic function decomposition is capable of handling complex requirements, and the functional consensus prevails over self-testing in correctness evaluation.
An elementary and unified proof of Grothendieck's inequality
We present an elementary, self-contained proof of Grothendieck's inequality that unifies the real and complex cases and yields both the Krivine and Haagerup bounds, the current best-known explicit bounds for the real and complex Grothendieck constants respectively. This article is intended to be pedagogical, combining and streamlining known ideas of Lindenstrauss--Pe{\l}czy\'nski, Krivine, and Haagerup into a proof that need only univariate calculus, basic complex variables, and a modicum of linear algebra as prerequisites.
DeepONet: Learning nonlinear operators for identifying differential equations based on the universal approximation theorem of operators
While it is widely known that neural networks are universal approximators of continuous functions, a less known and perhaps more powerful result is that a neural network with a single hidden layer can approximate accurately any nonlinear continuous operator. This universal approximation theorem is suggestive of the potential application of neural networks in learning nonlinear operators from data. However, the theorem guarantees only a small approximation error for a sufficient large network, and does not consider the important optimization and generalization errors. To realize this theorem in practice, we propose deep operator networks (DeepONets) to learn operators accurately and efficiently from a relatively small dataset. A DeepONet consists of two sub-networks, one for encoding the input function at a fixed number of sensors x_i, i=1,dots,m (branch net), and another for encoding the locations for the output functions (trunk net). We perform systematic simulations for identifying two types of operators, i.e., dynamic systems and partial differential equations, and demonstrate that DeepONet significantly reduces the generalization error compared to the fully-connected networks. We also derive theoretically the dependence of the approximation error in terms of the number of sensors (where the input function is defined) as well as the input function type, and we verify the theorem with computational results. More importantly, we observe high-order error convergence in our computational tests, namely polynomial rates (from half order to fourth order) and even exponential convergence with respect to the training dataset size.
Solving a Machine Learning Regression Problem Based on the Theory of Random Functions
This paper studies a machine learning regression problem as a multivariate approximation problem using the framework of the theory of random functions. An ab initio derivation of a regression method is proposed, starting from postulates of indifference. It is shown that if a probability measure on an infinite-dimensional function space possesses natural symmetries (invariance under translation, rotation, scaling, and Gaussianity), then the entire solution scheme, including the kernel form, the type of regularization, and the noise parameterization, follows analytically from these postulates. The resulting kernel coincides with a generalized polyharmonic spline; however, unlike existing approaches, it is not chosen empirically but arises as a consequence of the indifference principle. This result provides a theoretical foundation for a broad class of smoothing and interpolation methods, demonstrating their optimality in the absence of a priori information.
Backprop as Functor: A compositional perspective on supervised learning
A supervised learning algorithm searches over a set of functions A to B parametrised by a space P to find the best approximation to some ideal function fcolon A to B. It does this by taking examples (a,f(a)) in Atimes B, and updating the parameter according to some rule. We define a category where these update rules may be composed, and show that gradient descent---with respect to a fixed step size and an error function satisfying a certain property---defines a monoidal functor from a category of parametrised functions to this category of update rules. This provides a structural perspective on backpropagation, as well as a broad generalisation of neural networks.
Subset Selection Based On Multiple Rankings in the Presence of Bias: Effectiveness of Fairness Constraints for Multiwinner Voting Score Functions
We consider the problem of subset selection where one is given multiple rankings of items and the goal is to select the highest ``quality'' subset. Score functions from the multiwinner voting literature have been used to aggregate rankings into quality scores for subsets. We study this setting of subset selection problems when, in addition, rankings may contain systemic or unconscious biases toward a group of items. For a general model of input rankings and biases, we show that requiring the selected subset to satisfy group fairness constraints can improve the quality of the selection with respect to unbiased rankings. Importantly, we show that for fairness constraints to be effective, different multiwinner score functions may require a drastically different number of rankings: While for some functions, fairness constraints need an exponential number of rankings to recover a close-to-optimal solution, for others, this dependency is only polynomial. This result relies on a novel notion of ``smoothness'' of submodular functions in this setting that quantifies how well a function can ``correctly'' assess the quality of items in the presence of bias. The results in this paper can be used to guide the choice of multiwinner score functions for the subset selection setting considered here; we additionally provide a tool to empirically enable this.
Taylor Expansion of Discount Factors
In practical reinforcement learning (RL), the discount factor used for estimating value functions often differs from that used for defining the evaluation objective. In this work, we study the effect that this discrepancy of discount factors has during learning, and discover a family of objectives that interpolate value functions of two distinct discount factors. Our analysis suggests new ways for estimating value functions and performing policy optimization updates, which demonstrate empirical performance gains. This framework also leads to new insights on commonly-used deep RL heuristic modifications to policy optimization algorithms.
Constrained Monotonic Neural Networks
Wider adoption of neural networks in many critical domains such as finance and healthcare is being hindered by the need to explain their predictions and to impose additional constraints on them. Monotonicity constraint is one of the most requested properties in real-world scenarios and is the focus of this paper. One of the oldest ways to construct a monotonic fully connected neural network is to constrain signs on its weights. Unfortunately, this construction does not work with popular non-saturated activation functions as it can only approximate convex functions. We show this shortcoming can be fixed by constructing two additional activation functions from a typical unsaturated monotonic activation function and employing each of them on the part of neurons. Our experiments show this approach of building monotonic neural networks has better accuracy when compared to other state-of-the-art methods, while being the simplest one in the sense of having the least number of parameters, and not requiring any modifications to the learning procedure or post-learning steps. Finally, we prove it can approximate any continuous monotone function on a compact subset of R^n.
Discovering Object-Centric Generalized Value Functions From Pixels
Deep Reinforcement Learning has shown significant progress in extracting useful representations from high-dimensional inputs albeit using hand-crafted auxiliary tasks and pseudo rewards. Automatically learning such representations in an object-centric manner geared towards control and fast adaptation remains an open research problem. In this paper, we introduce a method that tries to discover meaningful features from objects, translating them to temporally coherent "question" functions and leveraging the subsequent learned general value functions for control. We compare our approach with state-of-the-art techniques alongside other ablations and show competitive performance in both stationary and non-stationary settings. Finally, we also investigate the discovered general value functions and through qualitative analysis show that the learned representations are not only interpretable but also, centered around objects that are invariant to changes across tasks facilitating fast adaptation.
Formalizing Preferences Over Runtime Distributions
When trying to solve a computational problem, we are often faced with a choice between algorithms that are guaranteed to return the right answer but differ in their runtime distributions (e.g., SAT solvers, sorting algorithms). This paper aims to lay theoretical foundations for such choices by formalizing preferences over runtime distributions. It might seem that we should simply prefer the algorithm that minimizes expected runtime. However, such preferences would be driven by exactly how slow our algorithm is on bad inputs, whereas in practice we are typically willing to cut off occasional, sufficiently long runs before they finish. We propose a principled alternative, taking a utility-theoretic approach to characterize the scoring functions that describe preferences over algorithms. These functions depend on the way our value for solving our problem decreases with time and on the distribution from which captimes are drawn. We describe examples of realistic utility functions and show how to leverage a maximum-entropy approach for modeling underspecified captime distributions. Finally, we show how to efficiently estimate an algorithm's expected utility from runtime samples.
Neural Networks Fail to Learn Periodic Functions and How to Fix It
Previous literature offers limited clues on how to learn a periodic function using modern neural networks. We start with a study of the extrapolation properties of neural networks; we prove and demonstrate experimentally that the standard activations functions, such as ReLU, tanh, sigmoid, along with their variants, all fail to learn to extrapolate simple periodic functions. We hypothesize that this is due to their lack of a "periodic" inductive bias. As a fix of this problem, we propose a new activation, namely, x + sin^2(x), which achieves the desired periodic inductive bias to learn a periodic function while maintaining a favorable optimization property of the ReLU-based activations. Experimentally, we apply the proposed method to temperature and financial data prediction.
Subjective Learning for Open-Ended Data
Conventional supervised learning typically assumes that the learning task can be solved by learning a single function since the data is sampled from a fixed distribution. However, this assumption is invalid in open-ended environments where no task-level data partitioning is available. In this paper, we present a novel supervised learning framework of learning from open-ended data, which is modeled as data implicitly sampled from multiple domains with the data in each domain obeying a domain-specific target function. Since different domains may possess distinct target functions, open-ended data inherently requires multiple functions to capture all its input-output relations, rendering training a single global model problematic. To address this issue, we devise an Open-ended Supervised Learning (OSL) framework, of which the key component is a subjective function that allocates the data among multiple candidate models to resolve the "conflict" between the data from different domains, exhibiting a natural hierarchy. We theoretically analyze the learnability and the generalization error of OSL, and empirically validate its efficacy in both open-ended regression and classification tasks.
Taming Landau level mixing in fractional quantum Hall states with deep learning
Strong correlation brings a rich array of emergent phenomena, as well as a daunting challenge to theoretical physics study. In condensed matter physics, the fractional quantum Hall effect is a prominent example of strong correlation, with Landau level mixing being one of the most challenging aspects to address using traditional computational methods. Deep learning real-space neural network wavefunction methods have emerged as promising architectures to describe electron correlations in molecules and materials, but their power has not been fully tested for exotic quantum states. In this work, we employ real-space neural network wavefunction techniques to investigate fractional quantum Hall systems. On both 1/3 and 2/5 filling systems, we achieve energies consistently lower than exact diagonalization results which only consider the lowest Landau level. We also demonstrate that the real-space neural network wavefunction can naturally capture the extent of Landau level mixing up to a very high level, overcoming the limitations of traditional methods. Our work underscores the potential of neural networks for future studies of strongly correlated systems and opens new avenues for exploring the rich physics of the fractional quantum Hall effect.
Why do networks have inhibitory/negative connections?
Why do brains have inhibitory connections? Why do deep networks have negative weights? We propose an answer from the perspective of representation capacity. We believe representing functions is the primary role of both (i) the brain in natural intelligence, and (ii) deep networks in artificial intelligence. Our answer to why there are inhibitory/negative weights is: to learn more functions. We prove that, in the absence of negative weights, neural networks with non-decreasing activation functions are not universal approximators. While this may be an intuitive result to some, to the best of our knowledge, there is no formal theory, in either machine learning or neuroscience, that demonstrates why negative weights are crucial in the context of representation capacity. Further, we provide insights on the geometric properties of the representation space that non-negative deep networks cannot represent. We expect these insights will yield a deeper understanding of more sophisticated inductive priors imposed on the distribution of weights that lead to more efficient biological and machine learning.
Minimum width for universal approximation using ReLU networks on compact domain
It has been shown that deep neural networks of a large enough width are universal approximators but they are not if the width is too small. There were several attempts to characterize the minimum width w_{min} enabling the universal approximation property; however, only a few of them found the exact values. In this work, we show that the minimum width for L^p approximation of L^p functions from [0,1]^{d_x} to mathbb R^{d_y} is exactly max{d_x,d_y,2} if an activation function is ReLU-Like (e.g., ReLU, GELU, Softplus). Compared to the known result for ReLU networks, w_{min}=max{d_x+1,d_y} when the domain is mathbb R^{d_x}, our result first shows that approximation on a compact domain requires smaller width than on mathbb R^{d_x}. We next prove a lower bound on w_{min} for uniform approximation using general activation functions including ReLU: w_{min}ge d_y+1 if d_x<d_yle2d_x. Together with our first result, this shows a dichotomy between L^p and uniform approximations for general activation functions and input/output dimensions.
Efficiently Computing Similarities to Private Datasets
Many methods in differentially private model training rely on computing the similarity between a query point (such as public or synthetic data) and private data. We abstract out this common subroutine and study the following fundamental algorithmic problem: Given a similarity function f and a large high-dimensional private dataset X subset R^d, output a differentially private (DP) data structure which approximates sum_{x in X} f(x,y) for any query y. We consider the cases where f is a kernel function, such as f(x,y) = e^{-|x-y|_2^2/sigma^2} (also known as DP kernel density estimation), or a distance function such as f(x,y) = |x-y|_2, among others. Our theoretical results improve upon prior work and give better privacy-utility trade-offs as well as faster query times for a wide range of kernels and distance functions. The unifying approach behind our results is leveraging `low-dimensional structures' present in the specific functions f that we study, using tools such as provable dimensionality reduction, approximation theory, and one-dimensional decomposition of the functions. Our algorithms empirically exhibit improved query times and accuracy over prior state of the art. We also present an application to DP classification. Our experiments demonstrate that the simple methodology of classifying based on average similarity is orders of magnitude faster than prior DP-SGD based approaches for comparable accuracy.
A Deductive Verification Infrastructure for Probabilistic Programs
This paper presents a quantitative program verification infrastructure for discrete probabilistic programs. Our infrastructure can be viewed as the probabilistic analogue of Boogie: its central components are an intermediate verification language (IVL) together with a real-valued logic. Our IVL provides a programming-language-style for expressing verification conditions whose validity implies the correctness of a program under investigation. As our focus is on verifying quantitative properties such as bounds on expected outcomes, expected run-times, or termination probabilities, off-the-shelf IVLs based on Boolean first-order logic do not suffice. Instead, a paradigm shift from the standard Boolean to a real-valued domain is required. Our IVL features quantitative generalizations of standard verification constructs such as assume- and assert-statements. Verification conditions are generated by a weakest-precondition-style semantics, based on our real-valued logic. We show that our verification infrastructure supports natural encodings of numerous verification techniques from the literature. With our SMT-based implementation, we automatically verify a variety of benchmarks. To the best of our knowledge, this establishes the first deductive verification infrastructure for expectation-based reasoning about probabilistic programs.
Einstein metrics on aligned homogeneous spaces with two factors
Given two homogeneous spaces of the form G_1/K and G_2/K, where G_1 and G_2 are compact simple Lie groups, we study the existence problem for G_1xG_2-invariant Einstein metrics on the homogeneous space M=G_1xG_2/K. For the large subclass C of spaces having three pairwise inequivalent isotropy irreducible summands (12 infinite families and 70 sporadic examples), we obtain that existence is equivalent to the existence of a real root for certain quartic polynomial depending on the dimensions and two Killing constants, which allows a full classification and the possibility to weigh the existence and non-existence pieces of C.
The Virtual Large Cardinal Hierarchy
We continue the study of the virtual large cardinal hierarchy by analysing virtual versions of superstrong, Woodin, and Berkeley cardinals. Gitman and Schindler showed that virtualizations of strong and supercompact cardinals yield the same large cardinal notion. We provide various equivalent characterizations of virtually Woodin cardinals, including showing that On is virtually Woodin if and only if for every class A, there is a proper class of virtually A-extendible cardinals. We introduce the virtual Vopenka principle for finite languages and show that it is not equivalent to the virtual Vopenka principle (although the two principles are equiconsistent), but is equivalent to the assertion that On is virtually pre-Woodin, a weakening of virtually Woodin, which is equivalent to having for every class A, a weakly virtually A-extendible cardinal. We show that if there are no virtually Berkeley cardinals, then On is virtually Woodin if and only if On is virtually pre-Woodin (if and only if the virtual Vopenka principle for finite languages holds). In particular, if the virtual Vopenka principle holds and On is not Mahlo, then On is not virtually Woodin, and hence there is a virtually Berkeley cardinal.
Nuclear Norm Regularization for Deep Learning
Penalizing the nuclear norm of a function's Jacobian encourages it to locally behave like a low-rank linear map. Such functions vary locally along only a handful of directions, making the Jacobian nuclear norm a natural regularizer for machine learning problems. However, this regularizer is intractable for high-dimensional problems, as it requires computing a large Jacobian matrix and taking its singular value decomposition. We show how to efficiently penalize the Jacobian nuclear norm using techniques tailor-made for deep learning. We prove that for functions parametrized as compositions f = g circ h, one may equivalently penalize the average squared Frobenius norm of Jg and Jh. We then propose a denoising-style approximation that avoids the Jacobian computations altogether. Our method is simple, efficient, and accurate, enabling Jacobian nuclear norm regularization to scale to high-dimensional deep learning problems. We complement our theory with an empirical study of our regularizer's performance and investigate applications to denoising and representation learning.
Intrinsic Sliced Wasserstein Distances for Comparing Collections of Probability Distributions on Manifolds and Graphs
Collections of probability distributions arise in a variety of applications ranging from user activity pattern analysis to brain connectomics. In practice these distributions can be defined over diverse domain types including finite intervals, circles, cylinders, spheres, other manifolds, and graphs. This paper introduces an approach for detecting differences between two collections of distributions over such general domains. To this end, we propose the intrinsic slicing construction that yields a novel class of Wasserstein distances on manifolds and graphs. These distances are Hilbert embeddable, allowing us to reduce the distribution collection comparison problem to a more familiar mean testing problem in a Hilbert space. We provide two testing procedures one based on resampling and another on combining p-values from coordinate-wise tests. Our experiments in various synthetic and real data settings show that the resulting tests are powerful and the p-values are well-calibrated.
STARC: A General Framework For Quantifying Differences Between Reward Functions
In order to solve a task using reinforcement learning, it is necessary to first formalise the goal of that task as a reward function. However, for many real-world tasks, it is very difficult to manually specify a reward function that never incentivises undesirable behaviour. As a result, it is increasingly popular to use reward learning algorithms, which attempt to learn a reward function from data. However, the theoretical foundations of reward learning are not yet well-developed. In particular, it is typically not known when a given reward learning algorithm with high probability will learn a reward function that is safe to optimise. This means that reward learning algorithms generally must be evaluated empirically, which is expensive, and that their failure modes are difficult to anticipate in advance. One of the roadblocks to deriving better theoretical guarantees is the lack of good methods for quantifying the difference between reward functions. In this paper we provide a solution to this problem, in the form of a class of pseudometrics on the space of all reward functions that we call STARC (STAndardised Reward Comparison) metrics. We show that STARC metrics induce both an upper and a lower bound on worst-case regret, which implies that our metrics are tight, and that any metric with the same properties must be bilipschitz equivalent to ours. Moreover, we also identify a number of issues with reward metrics proposed by earlier works. Finally, we evaluate our metrics empirically, to demonstrate their practical efficacy. STARC metrics can be used to make both theoretical and empirical analysis of reward learning algorithms both easier and more principled.
Generalized Polya's theorem on connected locally compact Abelian groups of dimension 1
According to the generalized Polya theorem, the Gaussian distribution on the real line is characterized by the property of equidistribution of a monomial and a linear form of independent identically distributed random variables. We give a complete description of a-adic solenoids for which an analog of this theorem is true. The proof of the main theorem is reduced to solving some functional equation in the class of continuous positive definite functions on the character group of an a-adic solenoid
Optimistic Online Mirror Descent for Bridging Stochastic and Adversarial Online Convex Optimization
Stochastically Extended Adversarial (SEA) model is introduced by Sachs et al. [2022] as an interpolation between stochastic and adversarial online convex optimization. Under the smoothness condition, they demonstrate that the expected regret of optimistic follow-the-regularized-leader (FTRL) depends on the cumulative stochastic variance sigma_{1:T}^2 and the cumulative adversarial variation Sigma_{1:T}^2 for convex functions. They also provide a slightly weaker bound based on the maximal stochastic variance sigma_{max}^2 and the maximal adversarial variation Sigma_{max}^2 for strongly convex functions. Inspired by their work, we investigate the theoretical guarantees of optimistic online mirror descent (OMD) for the SEA model. For convex and smooth functions, we obtain the same O(sigma_{1:T^2}+Sigma_{1:T^2}) regret bound, without the convexity requirement of individual functions. For strongly convex and smooth functions, we establish an O(min{log (sigma_{1:T}^2+Sigma_{1:T}^2), (sigma_{max}^2 + Sigma_{max}^2) log T}) bound, better than their O((sigma_{max}^2 + Sigma_{max}^2) log T) bound. For exp-concave and smooth functions, we achieve a new O(dlog(sigma_{1:T}^2+Sigma_{1:T}^2)) bound. Owing to the OMD framework, we can further extend our result to obtain dynamic regret guarantees, which are more favorable in non-stationary online scenarios. The attained results allow us to recover excess risk bounds of the stochastic setting and regret bounds of the adversarial setting, and derive new guarantees for many intermediate scenarios.
Expressivity of ReLU-Networks under Convex Relaxations
Convex relaxations are a key component of training and certifying provably safe neural networks. However, despite substantial progress, a wide and poorly understood accuracy gap to standard networks remains, raising the question of whether this is due to fundamental limitations of convex relaxations. Initial work investigating this question focused on the simple and widely used IBP relaxation. It revealed that some univariate, convex, continuous piecewise linear (CPWL) functions cannot be encoded by any ReLU network such that its IBP-analysis is precise. To explore whether this limitation is shared by more advanced convex relaxations, we conduct the first in-depth study on the expressive power of ReLU networks across all commonly used convex relaxations. We show that: (i) more advanced relaxations allow a larger class of univariate functions to be expressed as precisely analyzable ReLU networks, (ii) more precise relaxations can allow exponentially larger solution spaces of ReLU networks encoding the same functions, and (iii) even using the most precise single-neuron relaxations, it is impossible to construct precisely analyzable ReLU networks that express multivariate, convex, monotone CPWL functions.
Deep Learning Meets Sparse Regularization: A Signal Processing Perspective
Deep learning has been wildly successful in practice and most state-of-the-art machine learning methods are based on neural networks. Lacking, however, is a rigorous mathematical theory that adequately explains the amazing performance of deep neural networks. In this article, we present a relatively new mathematical framework that provides the beginning of a deeper understanding of deep learning. This framework precisely characterizes the functional properties of neural networks that are trained to fit to data. The key mathematical tools which support this framework include transform-domain sparse regularization, the Radon transform of computed tomography, and approximation theory, which are all techniques deeply rooted in signal processing. This framework explains the effect of weight decay regularization in neural network training, the use of skip connections and low-rank weight matrices in network architectures, the role of sparsity in neural networks, and explains why neural networks can perform well in high-dimensional problems.
Neural Inverse Operators for Solving PDE Inverse Problems
A large class of inverse problems for PDEs are only well-defined as mappings from operators to functions. Existing operator learning frameworks map functions to functions and need to be modified to learn inverse maps from data. We propose a novel architecture termed Neural Inverse Operators (NIOs) to solve these PDE inverse problems. Motivated by the underlying mathematical structure, NIO is based on a suitable composition of DeepONets and FNOs to approximate mappings from operators to functions. A variety of experiments are presented to demonstrate that NIOs significantly outperform baselines and solve PDE inverse problems robustly, accurately and are several orders of magnitude faster than existing direct and PDE-constrained optimization methods.
Real-valued continued fraction of straight lines
In an unbounded plane, straight lines are used extensively for mathematical analysis. They are tools of convenience. However, those with high slope values become unbounded at a faster rate than the independent variable. So, straight lines, in this work, are made to be bounded by introducing a parametric nonlinear term that is positive. The straight lines are transformed into bounded nonlinear curves that become unbounded at a much slower rate than the independent variable. This transforming equation can be expressed as a continued fraction of straight lines. The continued fraction is real-valued and converges to the solutions of the transforming equation. Following Euler's method, the continued fraction has been reduced into an infinite series. The usefulness of the bounding nature of continued fraction is demonstrated by solving the problem of image classification. Parameters estimated on the Fashion-MNIST dataset of greyscale images using continued fraction of regression lines have less variance, converge quickly and are more accurate than the linear counterpart. Moreover, this multi-dimensional parametric estimation problem can be expressed on xy- plane using the parameters of the continued fraction and patterns emerge on planar plots.
Iterated Q-Network: Beyond One-Step Bellman Updates in Deep Reinforcement Learning
The vast majority of Reinforcement Learning methods is largely impacted by the computation effort and data requirements needed to obtain effective estimates of action-value functions, which in turn determine the quality of the overall performance and the sample-efficiency of the learning procedure. Typically, action-value functions are estimated through an iterative scheme that alternates the application of an empirical approximation of the Bellman operator and a subsequent projection step onto a considered function space. It has been observed that this scheme can be potentially generalized to carry out multiple iterations of the Bellman operator at once, benefiting the underlying learning algorithm. However, till now, it has been challenging to effectively implement this idea, especially in high-dimensional problems. In this paper, we introduce iterated Q-Network (i-QN), a novel principled approach that enables multiple consecutive Bellman updates by learning a tailored sequence of action-value functions where each serves as the target for the next. We show that i-QN is theoretically grounded and that it can be seamlessly used in value-based and actor-critic methods. We empirically demonstrate the advantages of i-QN in Atari 2600 games and MuJoCo continuous control problems.
Pessimistic Nonlinear Least-Squares Value Iteration for Offline Reinforcement Learning
Offline reinforcement learning (RL), where the agent aims to learn the optimal policy based on the data collected by a behavior policy, has attracted increasing attention in recent years. While offline RL with linear function approximation has been extensively studied with optimal results achieved under certain assumptions, many works shift their interest to offline RL with non-linear function approximation. However, limited works on offline RL with non-linear function approximation have instance-dependent regret guarantees. In this paper, we propose an oracle-efficient algorithm, dubbed Pessimistic Nonlinear Least-Square Value Iteration (PNLSVI), for offline RL with non-linear function approximation. Our algorithmic design comprises three innovative components: (1) a variance-based weighted regression scheme that can be applied to a wide range of function classes, (2) a subroutine for variance estimation, and (3) a planning phase that utilizes a pessimistic value iteration approach. Our algorithm enjoys a regret bound that has a tight dependency on the function class complexity and achieves minimax optimal instance-dependent regret when specialized to linear function approximation. Our work extends the previous instance-dependent results within simpler function classes, such as linear and differentiable function to a more general framework.
Invariant subspaces for finite index shifts in Hardy spaces and the invariant subspace problem for finite defect operators
Let mathbb H be the finite direct sums of H^2(mathbb D). In this paper, we give a characterization of the closed subspaces of mathbb H which are invariant under the shift, thus obtaining a concrete Beurling-type theorem for the finite index shift. This characterization presents any such a subspace as the finite intersection, up to an inner function, of pre-images of a closed shift-invariant subspace of H^2(mathbb D) under ``determinantal operators'' from mathbb H to H^2(mathbb D), that is, continuous linear operators which intertwine the shifts and appear as determinants of matrices with entries given by bounded holomorphic functions. With simple algebraic manipulations we provide a direct proof that every invariant closed subspace of codimension at least two sits into a non-trivial closed invariant subspace. As a consequence every bounded linear operator with finite defect has a nontrivial closed invariant subspace.
Categorical Schrödinger Bridge Matching
The Schr\"odinger Bridge (SB) is a powerful framework for solving generative modeling tasks such as unpaired domain translation. Most SB-related research focuses on continuous data space R^{D} and leaves open theoretical and algorithmic questions about applying SB methods to discrete data, e.g, on finite spaces S^{D}. Notable examples of such sets S are codebooks of vector-quantized (VQ) representations of modern autoencoders, tokens in texts, categories of atoms in molecules, etc. In this paper, we provide a theoretical and algorithmic foundation for solving SB in discrete spaces using the recently introduced Iterative Markovian Fitting (IMF) procedure. Specifically, we theoretically justify the convergence of discrete-time IMF (D-IMF) to SB in discrete spaces. This enables us to develop a practical computational algorithm for SB which we call Categorical Schr\"odinger Bridge Matching (CSBM). We show the performance of CSBM via a series of experiments with synthetic data and VQ representations of images.
Attribute-Efficient PAC Learning of Low-Degree Polynomial Threshold Functions with Nasty Noise
The concept class of low-degree polynomial threshold functions (PTFs) plays a fundamental role in machine learning. In this paper, we study PAC learning of K-sparse degree-d PTFs on R^n, where any such concept depends only on K out of n attributes of the input. Our main contribution is a new algorithm that runs in time ({nd}/{epsilon})^{O(d)} and under the Gaussian marginal distribution, PAC learns the class up to error rate epsilon with O(K^{4d}{epsilon^{2d}} cdot log^{5d} n) samples even when an eta leq O(epsilon^d) fraction of them are corrupted by the nasty noise of Bshouty et al. (2002), possibly the strongest corruption model. Prior to this work, attribute-efficient robust algorithms are established only for the special case of sparse homogeneous halfspaces. Our key ingredients are: 1) a structural result that translates the attribute sparsity to a sparsity pattern of the Chow vector under the basis of Hermite polynomials, and 2) a novel attribute-efficient robust Chow vector estimation algorithm which uses exclusively a restricted Frobenius norm to either certify a good approximation or to validate a sparsity-induced degree-2d polynomial as a filter to detect corrupted samples.
Deep Learning using Rectified Linear Units (ReLU)
We introduce the use of rectified linear units (ReLU) as the classification function in a deep neural network (DNN). Conventionally, ReLU is used as an activation function in DNNs, with Softmax function as their classification function. However, there have been several studies on using a classification function other than Softmax, and this study is an addition to those. We accomplish this by taking the activation of the penultimate layer h_{n - 1} in a neural network, then multiply it by weight parameters theta to get the raw scores o_{i}. Afterwards, we threshold the raw scores o_{i} by 0, i.e. f(o) = max(0, o_{i}), where f(o) is the ReLU function. We provide class predictions y through argmax function, i.e. argmax f(x).
Probabilistic Generating Circuits
Generating functions, which are widely used in combinatorics and probability theory, encode function values into the coefficients of a polynomial. In this paper, we explore their use as a tractable probabilistic model, and propose probabilistic generating circuits (PGCs) for their efficient representation. PGCs are strictly more expressive efficient than many existing tractable probabilistic models, including determinantal point processes (DPPs), probabilistic circuits (PCs) such as sum-product networks, and tractable graphical models. We contend that PGCs are not just a theoretical framework that unifies vastly different existing models, but also show great potential in modeling realistic data. We exhibit a simple class of PGCs that are not trivially subsumed by simple combinations of PCs and DPPs, and obtain competitive performance on a suite of density estimation benchmarks. We also highlight PGCs' connection to the theory of strongly Rayleigh distributions.
D'OH: Decoder-Only random Hypernetworks for Implicit Neural Representations
Deep implicit functions have been found to be an effective tool for efficiently encoding all manner of natural signals. Their attractiveness stems from their ability to compactly represent signals with little to no off-line training data. Instead, they leverage the implicit bias of deep networks to decouple hidden redundancies within the signal. In this paper, we explore the hypothesis that additional compression can be achieved by leveraging the redundancies that exist between layers. We propose to use a novel run-time decoder-only hypernetwork - that uses no offline training data - to better model this cross-layer parameter redundancy. Previous applications of hyper-networks with deep implicit functions have applied feed-forward encoder/decoder frameworks that rely on large offline datasets that do not generalize beyond the signals they were trained on. We instead present a strategy for the initialization of run-time deep implicit functions for single-instance signals through a Decoder-Only randomly projected Hypernetwork (D'OH). By directly changing the dimension of a latent code to approximate a target implicit neural architecture, we provide a natural way to vary the memory footprint of neural representations without the costly need for neural architecture search on a space of alternative low-rate structures.
Concentrating solutions of the fractional (p,q)-Choquard equation with exponential growth
This article deals with the following fractional (p,q)-Choquard equation with exponential growth of the form: $varepsilon^{ps}(-Delta)_{p}^{s}u+varepsilon^{qs}(-Delta)_q^su+ Z(x)(|u|^{p-2}u+|u|^{q-2}u)=varepsilon^{mu-N}[|x|^{-mu}*F(u)]f(u) in R^N, where s\in (0,1), \varepsilon>0 is a parameter, 2\leq p=N{s}<q, and 0<\mu<N. The nonlinear function f has an exponential growth at infinity and the continuous potential function Z satisfies suitable natural conditions. With the help of the Ljusternik-Schnirelmann category theory and variational methods, the multiplicity and concentration of positive solutions are obtained for \varepsilon>0$ small enough. In a certain sense, we generalize some previously known results.
