Daily Papers

The increasing complexity and parameter count of Convolutional Neural Networks (CNNs) and Transformers pose challenges in terms of computational efficiency and resource demands. Pruning has been identified as an effective strategy to address these challenges by removing redundant elements such as neurons, channels, or connections, thereby enhancing computational efficiency without heavily compromising performance. This paper builds on the foundational work of Optimal Brain Damage (OBD) by advancing the methodology of parameter importance estimation using the Hessian matrix. Unlike previous approaches that rely on approximations, we introduce Optimal Brain Apoptosis (OBA), a novel pruning method that calculates the Hessian-vector product value directly for each parameter. By decomposing the Hessian matrix across network layers and identifying conditions under which inter-layer Hessian submatrices are non-zero, we propose a highly efficient technique for computing the second-order Taylor expansion of parameters. This approach allows for a more precise pruning process, particularly in the context of CNNs and Transformers, as validated in our experiments including VGG19, ResNet32, ResNet50, and ViT-B/16 on CIFAR10, CIFAR100 and Imagenet datasets. Our code is available at https://github.com/NEU-REAL/OBA.

In this paper, we revisit one of the simplest problems in data structures: the task of inserting elements into an open-addressed hash table so that elements can later be retrieved with as few probes as possible. We show that, even without reordering elements over time, it is possible to construct a hash table that achieves far better expected search complexities (both amortized and worst-case) than were previously thought possible. Along the way, we disprove the central conjecture left by Yao in his seminal paper ``Uniform Hashing is Optimal''. All of our results come with matching lower bounds.

We develop an analytical framework to characterize the set of optimal ReLU neural networks by reformulating the non-convex training problem as a convex program. We show that the global optima of the convex parameterization are given by a polyhedral set and then extend this characterization to the optimal set of the non-convex training objective. Since all stationary points of the ReLU training problem can be represented as optima of sub-sampled convex programs, our work provides a general expression for all critical points of the non-convex objective. We then leverage our results to provide an optimal pruning algorithm for computing minimal networks, establish conditions for the regularization path of ReLU networks to be continuous, and develop sensitivity results for minimal ReLU networks.

In goal-reaching reinforcement learning (RL), the optimal value function has a particular geometry, called quasimetric structure. This paper introduces Quasimetric Reinforcement Learning (QRL), a new RL method that utilizes quasimetric models to learn optimal value functions. Distinct from prior approaches, the QRL objective is specifically designed for quasimetrics, and provides strong theoretical recovery guarantees. Empirically, we conduct thorough analyses on a discretized MountainCar environment, identifying properties of QRL and its advantages over alternatives. On offline and online goal-reaching benchmarks, QRL also demonstrates improved sample efficiency and performance, across both state-based and image-based observations.

Linear transformation of the inputs alters the training performance of feed-forward networks that are otherwise equivalent. However, most linear transforms are viewed as a pre-processing operation separate from the actual training. Starting from equivalent networks, it is shown that pre-processing inputs using linear transformation are equivalent to multiplying the negative gradient matrix with an autocorrelation matrix per training iteration. Second order method is proposed to find the autocorrelation matrix that maximizes learning in a given iteration. When the autocorrelation matrix is diagonal, the method optimizes input gains. This optimal input gain (OIG) approach is used to improve two first-order two-stage training algorithms, namely back-propagation (BP) and hidden weight optimization (HWO), which alternately update the input weights and solve linear equations for output weights. Results show that the proposed OIG approach greatly enhances the performance of the first-order algorithms, often allowing them to rival the popular Levenberg-Marquardt approach with far less computation. It is shown that HWO is equivalent to BP with Whitening transformation applied to the inputs. HWO effectively combines Whitening transformation with learning. Thus, OIG improved HWO could be a significant building block to more complex deep learning architectures.

Contrastive learning is a highly successful technique for learning representations of data from labeled tuples, specifying the distance relations within the tuple. We study the sample complexity of contrastive learning, i.e. the minimum number of labeled tuples sufficient for getting high generalization accuracy. We give tight bounds on the sample complexity in a variety of settings, focusing on arbitrary distance functions, both general ell_p-distances, and tree metrics. Our main result is an (almost) optimal bound on the sample complexity of learning ell_p-distances for integer p. For any p ge 1 we show that tilde Theta(min(nd,n^2)) labeled tuples are necessary and sufficient for learning d-dimensional representations of n-point datasets. Our results hold for an arbitrary distribution of the input samples and are based on giving the corresponding bounds on the Vapnik-Chervonenkis/Natarajan dimension of the associated problems. We further show that the theoretical bounds on sample complexity obtained via VC/Natarajan dimension can have strong predictive power for experimental results, in contrast with the folklore belief about a substantial gap between the statistical learning theory and the practice of deep learning.

The task of Visual Place Recognition (VPR) aims to match a query image against references from an extensive database of images from different places, relying solely on visual cues. State-of-the-art pipelines focus on the aggregation of features extracted from a deep backbone, in order to form a global descriptor for each image. In this context, we introduce SALAD (Sinkhorn Algorithm for Locally Aggregated Descriptors), which reformulates NetVLAD's soft-assignment of local features to clusters as an optimal transport problem. In SALAD, we consider both feature-to-cluster and cluster-to-feature relations and we also introduce a 'dustbin' cluster, designed to selectively discard features deemed non-informative, enhancing the overall descriptor quality. Additionally, we leverage and fine-tune DINOv2 as a backbone, which provides enhanced description power for the local features, and dramatically reduces the required training time. As a result, our single-stage method not only surpasses single-stage baselines in public VPR datasets, but also surpasses two-stage methods that add a re-ranking with significantly higher cost. Code and models are available at https://github.com/serizba/salad.

We resolve the open question regarding the sample complexity of policy learning for maximizing the long-run average reward associated with a uniformly ergodic Markov decision process (MDP), assuming a generative model. In this context, the existing literature provides a sample complexity upper bound of widetilde O(|S||A|t_{mix}^2 epsilon^{-2}) and a lower bound of Omega(|S||A|t_{mix} epsilon^{-2}). In these expressions, |S| and |A| denote the cardinalities of the state and action spaces respectively, t_{mix} serves as a uniform upper limit for the total variation mixing times, and epsilon signifies the error tolerance. Therefore, a notable gap of t_{mix} still remains to be bridged. Our primary contribution is the development of an estimator for the optimal policy of average reward MDPs with a sample complexity of widetilde O(|S||A|t_{mix}epsilon^{-2}). This marks the first algorithm and analysis to reach the literature's lower bound. Our new algorithm draws inspiration from ideas in Li et al. (2020), Jin and Sidford (2021), and Wang et al. (2023). Additionally, we conduct numerical experiments to validate our theoretical findings.

Optimal Transport is a useful metric to compare probability distributions and to compute a pairing given a ground cost. Its entropic regularization variant (eOT) is crucial to have fast algorithms and reflect fuzzy/noisy matchings. This work focuses on Inverse Optimal Transport (iOT), the problem of inferring the ground cost from samples drawn from a coupling that solves an eOT problem. It is a relevant problem that can be used to infer unobserved/missing links, and to obtain meaningful information about the structure of the ground cost yielding the pairing. On one side, iOT benefits from convexity, but on the other side, being ill-posed, it requires regularization to handle the sampling noise. This work presents an in-depth theoretical study of the l1 regularization to model for instance Euclidean costs with sparse interactions between features. Specifically, we derive a sufficient condition for the robust recovery of the sparsity of the ground cost that can be seen as a far reaching generalization of the Lasso's celebrated Irrepresentability Condition. To provide additional insight into this condition, we work out in detail the Gaussian case. We show that as the entropic penalty varies, the iOT problem interpolates between a graphical Lasso and a classical Lasso, thereby establishing a connection between iOT and graph estimation, an important problem in ML.

Optimal Transport (OT) problem aims to find a transport plan that bridges two distributions while minimizing a given cost function. OT theory has been widely utilized in generative modeling. In the beginning, OT distance has been used as a measure for assessing the distance between data and generated distributions. Recently, OT transport map between data and prior distributions has been utilized as a generative model. These OT-based generative models share a similar adversarial training objective. In this paper, we begin by unifying these OT-based adversarial methods within a single framework. Then, we elucidate the role of each component in training dynamics through a comprehensive analysis of this unified framework. Moreover, we suggest a simple but novel method that improves the previously best-performing OT-based model. Intuitively, our approach conducts a gradual refinement of the generated distribution, progressively aligning it with the data distribution. Our approach achieves a FID score of 2.51 on CIFAR-10 and 5.99 on CelebA-HQ-256, outperforming unified OT-based adversarial approaches.

This work puts forth a new optimal design formulation for planar elastic membranes. The goal is to minimize the membrane's compliance through choosing the material distribution described by a positive Radon measure. The deformation of the membrane itself is governed by the convexified F\"{o}ppl's model. The uniqueness of this model lies in the convexity of its variational formulation despite the inherent nonlinearity of the strain-displacement relation. It makes it possible to rewrite the optimization problem as a pair of mutually dual convex variational problems. In the primal problem a linear functional is maximized with respect to displacement functions while enforcing that point-wisely the strain lies in an unbounded closed convex set. The dual problem consists in finding equilibrated stresses that are to minimize a convex integral functional of linear growth defined on the space of Radon measures. The pair of problems is analysed: existence and regularity results are provided, together with the system of optimality criteria. To demonstrate the computational potential of the pair, a finite element scheme is developed around it. Upon reformulation to a conic-quadratic & semi-definite programming problem, the method is employed to produce numerical simulations for several load case scenarios.

Cross-lingual semantic parsing transfers parsing capability from a high-resource language (e.g., English) to low-resource languages with scarce training data. Previous work has primarily considered silver-standard data augmentation or zero-shot methods, however, exploiting few-shot gold data is comparatively unexplored. We propose a new approach to cross-lingual semantic parsing by explicitly minimizing cross-lingual divergence between probabilistic latent variables using Optimal Transport. We demonstrate how this direct guidance improves parsing from natural languages using fewer examples and less training. We evaluate our method on two datasets, MTOP and MultiATIS++SQL, establishing state-of-the-art results under a few-shot cross-lingual regime. Ablation studies further reveal that our method improves performance even without parallel input translations. In addition, we show that our model better captures cross-lingual structure in the latent space to improve semantic representation similarity.

In recent years, diffusion models have become the most popular and powerful methods in the field of image synthesis, even rivaling human artists in artistic creativity. However, the key issue currently limiting the application of diffusion models is its extremely slow generation process. Although several methods were proposed to speed up the generation process, there still exists a trade-off between efficiency and quality. In this paper, we first provide a detailed theoretical and empirical analysis of the generation process of the diffusion models based on schedulers. We transform the designing problem of schedulers into the determination of several parameters, and further transform the accelerated generation process into an expansion process of the linear subspace. Based on these analyses, we consequently propose a novel method called Optimal Linear Subspace Search (OLSS), which accelerates the generation process by searching for the optimal approximation process of the complete generation process in the linear subspaces spanned by latent variables. OLSS is able to generate high-quality images with a very small number of steps. To demonstrate the effectiveness of our method, we conduct extensive comparative experiments on open-source diffusion models. Experimental results show that with a given number of steps, OLSS can significantly improve the quality of generated images. Using an NVIDIA A100 GPU, we make it possible to generate a high-quality image by Stable Diffusion within only one second without other optimization techniques.

With the advent of large datasets, offline reinforcement learning (RL) is a promising framework for learning good decision-making policies without the need to interact with the real environment. However, offline RL requires the dataset to be reward-annotated, which presents practical challenges when reward engineering is difficult or when obtaining reward annotations is labor-intensive. In this paper, we introduce Optimal Transport Reward labeling (OTR), an algorithm that assigns rewards to offline trajectories, with a few high-quality demonstrations. OTR's key idea is to use optimal transport to compute an optimal alignment between an unlabeled trajectory in the dataset and an expert demonstration to obtain a similarity measure that can be interpreted as a reward, which can then be used by an offline RL algorithm to learn the policy. OTR is easy to implement and computationally efficient. On D4RL benchmarks, we show that OTR with a single demonstration can consistently match the performance of offline RL with ground-truth rewards.

We study reward-free reinforcement learning (RL) with linear function approximation, where the agent works in two phases: (1) in the exploration phase, the agent interacts with the environment but cannot access the reward; and (2) in the planning phase, the agent is given a reward function and is expected to find a near-optimal policy based on samples collected in the exploration phase. The sample complexities of existing reward-free algorithms have a polynomial dependence on the planning horizon, which makes them intractable for long planning horizon RL problems. In this paper, we propose a new reward-free algorithm for learning linear mixture Markov decision processes (MDPs), where the transition probability can be parameterized as a linear combination of known feature mappings. At the core of our algorithm is uncertainty-weighted value-targeted regression with exploration-driven pseudo-reward and a high-order moment estimator for the aleatoric and epistemic uncertainties. When the total reward is bounded by 1, we show that our algorithm only needs to explore tilde O( d^2varepsilon^{-2}) episodes to find an varepsilon-optimal policy, where d is the dimension of the feature mapping. The sample complexity of our algorithm only has a polylogarithmic dependence on the planning horizon and therefore is ``horizon-free''. In addition, we provide an Omega(d^2varepsilon^{-2}) sample complexity lower bound, which matches the sample complexity of our algorithm up to logarithmic factors, suggesting that our algorithm is optimal.

We investigate the fidelity of Grover's search algorithm by implementing it on an open quantum system. In particular, we study with what accuracy one can estimate that the algorithm would deliver the searched state. In reality, every system has some influence of its environment. We include the environmental effects on the system dynamics by using a recently reported fluctuation-regulated quantum master equation (FRQME). The FRQME indicates that in addition to the regular relaxation due to system-environment coupling, the applied drive also causes dissipation in the system dynamics. As a result, the fidelity is found to depend on both the drive-induced dissipative terms and the relaxation terms and we find that there exists a competition between them, leading to an optimum value of the drive amplitude for which the fidelity becomes maximum. For efficient implementation of the search algorithm, precise knowledge of this optimum drive amplitude is essential.

Bayesian persuasion studies how an informed sender should influence beliefs of rational receivers who take decisions through Bayesian updating of a common prior. We focus on the online Bayesian persuasion framework, in which the sender repeatedly faces one or more receivers with unknown and adversarially selected types. First, we show how to obtain a tight tilde O(T^{1/2}) regret bound in the case in which the sender faces a single receiver and has partial feedback, improving over the best previously known bound of tilde O(T^{4/5}). Then, we provide the first no-regret guarantees for the multi-receiver setting under partial feedback. Finally, we show how to design no-regret algorithms with polynomial per-iteration running time by exploiting type reporting, thereby circumventing known intractability results on online Bayesian persuasion. We provide efficient algorithms guaranteeing a O(T^{1/2}) regret upper bound both in the single- and multi-receiver scenario when type reporting is allowed.

Optimal transport (OT) theory focuses, among all maps T:R^drightarrow R^d that can morph a probability measure onto another, on those that are the ``thriftiest'', i.e. such that the averaged cost c(x, T(x)) between x and its image T(x) be as small as possible. Many computational approaches have been proposed to estimate such Monge maps when c is the ell_2^2 distance, e.g., using entropic maps [Pooladian'22], or neural networks [Makkuva'20, Korotin'20]. We propose a new model for transport maps, built on a family of translation invariant costs c(x, y):=h(x-y), where h:=1{2}|cdot|_2^2+tau and tau is a regularizer. We propose a generalization of the entropic map suitable for h, and highlight a surprising link tying it with the Bregman centroids of the divergence D_h generated by h, and the proximal operator of tau. We show that choosing a sparsity-inducing norm for tau results in maps that apply Occam's razor to transport, in the sense that the displacement vectors Delta(x):= T(x)-x they induce are sparse, with a sparsity pattern that varies depending on x. We showcase the ability of our method to estimate meaningful OT maps for high-dimensional single-cell transcription data, in the 34000-d space of gene counts for cells, without using dimensionality reduction, thus retaining the ability to interpret all displacements at the gene level.

We present new algorithms for optimizing non-smooth, non-convex stochastic objectives based on a novel analysis technique. This improves the current best-known complexity for finding a (delta,epsilon)-stationary point from O(epsilon^{-4}delta^{-1}) stochastic gradient queries to O(epsilon^{-3}delta^{-1}), which we also show to be optimal. Our primary technique is a reduction from non-smooth non-convex optimization to online learning, after which our results follow from standard regret bounds in online learning. For deterministic and second-order smooth objectives, applying more advanced optimistic online learning techniques enables a new complexity of O(epsilon^{-1.5}delta^{-0.5}). Our techniques also recover all optimal or best-known results for finding epsilon stationary points of smooth or second-order smooth objectives in both stochastic and deterministic settings.

Optimal transport (OT) has gained popularity due to its various applications in fields such as machine learning, statistics, and signal processing. However, the balanced mass requirement limits its performance in practical problems. To address these limitations, variants of the OT problem, including unbalanced OT, Optimal partial transport (OPT), and Hellinger Kantorovich (HK), have been proposed. In this paper, we propose the Linear optimal partial transport (LOPT) embedding, which extends the (local) linearization technique on OT and HK to the OPT problem. The proposed embedding allows for faster computation of OPT distance between pairs of positive measures. Besides our theoretical contributions, we demonstrate the LOPT embedding technique in point-cloud interpolation and PCA analysis.

Uncertainty in perception, actuation, and the environment often require multiple attempts for a robotic task to be successful. We study a class of problems providing (1) low-entropy indicators of terminal success / failure, and (2) unreliable (high-entropy) data to predict the final outcome of an ongoing task. Examples include a robot trying to connect with a charging station, parallel parking, or assembling a tightly-fitting part. The ability to restart after predicting failure early, versus simply running to failure, can significantly decrease the makespan, that is, the total time to completion, with the drawback of potentially short-cutting an otherwise successful operation. Assuming task running times to be Poisson distributed, and using a Markov Jump process to capture the dynamics of the underlying Markov Decision Process, we derive a closed form solution that predicts makespan based on the confusion matrix of the failure predictor. This allows the robot to learn failure prediction in a production environment, and only adopt a preemptive policy when it actually saves time. We demonstrate this approach using a robotic peg-in-hole assembly problem using a real robotic system. Failures are predicted by a dilated convolutional network based on force-torque data, showing an average makespan reduction from 101s to 81s (N=120, p<0.05). We posit that the proposed algorithm generalizes to any robotic behavior with an unambiguous terminal reward, with wide ranging applications on how robots can learn and improve their behaviors in the wild.

The estimation of repeatedly nested expectations is a challenging task that arises in many real-world systems. However, existing methods generally suffer from high computational costs when the number of nestings becomes large. Fix any non-negative integer D for the total number of nestings. Standard Monte Carlo methods typically cost at least O(varepsilon^{-(2+D)}) and sometimes O(varepsilon^{-2(1+D)}) to obtain an estimator up to varepsilon-error. More advanced methods, such as multilevel Monte Carlo, currently only exist for D = 1. In this paper, we propose a novel Monte Carlo estimator called READ, which stands for "Recursive Estimator for Arbitrary Depth.'' Our estimator has an optimal computational cost of O(varepsilon^{-2}) for every fixed D under suitable assumptions, and a nearly optimal computational cost of O(varepsilon^{-2(1 + delta)}) for any 0 < delta < frac12 under much more general assumptions. Our estimator is also unbiased, which makes it easy to parallelize. The key ingredients in our construction are an observation of the problem's recursive structure and the recursive use of the randomized multilevel Monte Carlo method.

Optimal transport aligns samples across distributions by minimizing the transportation cost between them, e.g., the geometric distances. Yet, it ignores coherence structure in the data such as clusters, does not handle outliers well, and cannot integrate new data points. To address these drawbacks, we propose InfoOT, an information-theoretic extension of optimal transport that maximizes the mutual information between domains while minimizing geometric distances. The resulting objective can still be formulated as a (generalized) optimal transport problem, and can be efficiently solved by projected gradient descent. This formulation yields a new projection method that is robust to outliers and generalizes to unseen samples. Empirically, InfoOT improves the quality of alignments across benchmarks in domain adaptation, cross-domain retrieval, and single-cell alignment.

We consider the problem of model compression for deep neural networks (DNNs) in the challenging one-shot/post-training setting, in which we are given an accurate trained model, and must compress it without any retraining, based only on a small amount of calibration input data. This problem has become popular in view of the emerging software and hardware support for executing models compressed via pruning and/or quantization with speedup, and well-performing solutions have been proposed independently for both compression approaches. In this paper, we introduce a new compression framework which covers both weight pruning and quantization in a unified setting, is time- and space-efficient, and considerably improves upon the practical performance of existing post-training methods. At the technical level, our approach is based on an exact and efficient realization of the classical Optimal Brain Surgeon (OBS) framework of [LeCun, Denker, and Solla, 1990] extended to also cover weight quantization at the scale of modern DNNs. From the practical perspective, our experimental results show that it can improve significantly upon the compression-accuracy trade-offs of existing post-training methods, and that it can enable the accurate compound application of both pruning and quantization in a post-training setting.

We study the approximability of an existing framework for clustering edge-colored hypergraphs, which is closely related to chromatic correlation clustering and is motivated by machine learning and data mining applications where the goal is to cluster a set of objects based on multiway interactions of different categories or types. We present improved approximation guarantees based on linear programming, and show they are tight by proving a matching integrality gap. Our results also include new approximation hardness results, a combinatorial 2-approximation whose runtime is linear in the hypergraph size, and several new connections to well-studied objectives such as vertex cover and hypergraph multiway cut.

Optimal transport (OT) compares probability distributions by computing a meaningful alignment between their samples. CO-optimal transport (COOT) takes this comparison further by inferring an alignment between features as well. While this approach leads to better alignments and generalizes both OT and Gromov-Wasserstein distances, we provide a theoretical result showing that it is sensitive to outliers that are omnipresent in real-world data. This prompts us to propose unbalanced COOT for which we provably show its robustness to noise in the compared datasets. To the best of our knowledge, this is the first such result for OT methods in incomparable spaces. With this result in hand, we provide empirical evidence of this robustness for the challenging tasks of heterogeneous domain adaptation with and without varying proportions of classes and simultaneous alignment of samples and features across single-cell measurements.

We study the problem of online generalized linear regression in the stochastic setting, where the label is generated from a generalized linear model with possibly unbounded additive noise. We provide a sharp analysis of the classical follow-the-regularized-leader (FTRL) algorithm to cope with the label noise. More specifically, for sigma-sub-Gaussian label noise, our analysis provides a regret upper bound of O(sigma^2 d log T) + o(log T), where d is the dimension of the input vector, T is the total number of rounds. We also prove a Omega(sigma^2dlog(T/d)) lower bound for stochastic online linear regression, which indicates that our upper bound is nearly optimal. In addition, we extend our analysis to a more refined Bernstein noise condition. As an application, we study generalized linear bandits with heteroscedastic noise and propose an algorithm based on FTRL to achieve the first variance-aware regret bound.

Machine learning systems often experience a distribution shift between training and testing. In this paper, we introduce a simple variational objective whose optima are exactly the set of all representations on which risk minimizers are guaranteed to be robust to any distribution shift that preserves the Bayes predictor, e.g., covariate shifts. Our objective has two components. First, a representation must remain discriminative for the task, i.e., some predictor must be able to simultaneously minimize the source and target risk. Second, the representation's marginal support needs to be the same across source and target. We make this practical by designing self-supervised objectives that only use unlabelled data and augmentations to train robust representations. Our objectives give insights into the robustness of CLIP, and further improve CLIP's representations to achieve SOTA results on DomainBed.

Model order reduction has been extensively studied over the last two decades. Projection-based methods such as the Proper Orthogonal Decomposition and the Reduced Basis Method enjoy the important advantages of Galerkin methods in the derivation of the reduced problem, but are limited to linear data compression for which the reduced solution is sought as a linear combination of spatial modes. Nonlinear data compression must be used when the solution manifold is not embedded in a low-dimensional subspace. Early methods involve piecewise linear data compression, by constructing a dictionary of reduced-order models tailored to a partition of the solution manifold. In this work, we introduce the concept of optimal partition of the solution manifold in terms of normalized Kolmogorov widths, and prove that the optimal partitions can be found by means of a representative-based clustering algorithm using the sine dissimilarity measure on the solution manifold.

We extract an optimal subset of architectural parameters for the BERT architecture from Devlin et al. (2018) by applying recent breakthroughs in algorithms for neural architecture search. This optimal subset, which we refer to as "Bort", is demonstrably smaller, having an effective (that is, not counting the embedding layer) size of 5.5% the original BERT-large architecture, and 16% of the net size. Bort is also able to be pretrained in 288 GPU hours, which is 1.2% of the time required to pretrain the highest-performing BERT parametric architectural variant, RoBERTa-large (Liu et al., 2019), and about 33% of that of the world-record, in GPU hours, required to train BERT-large on the same hardware. It is also 7.9x faster on a CPU, as well as being better performing than other compressed variants of the architecture, and some of the non-compressed variants: it obtains performance improvements of between 0.3% and 31%, absolute, with respect to BERT-large, on multiple public natural language understanding (NLU) benchmarks.

String similarity models are vital for record linkage, entity resolution, and search. In this work, we present STANCE --a learned model for computing the similarity of two strings. Our approach encodes the characters of each string, aligns the encodings using Sinkhorn Iteration (alignment is posed as an instance of optimal transport) and scores the alignment with a convolutional neural network. We evaluate STANCE's ability to detect whether two strings can refer to the same entity--a task we term alias detection. We construct five new alias detection datasets (and make them publicly available). We show that STANCE or one of its variants outperforms both state-of-the-art and classic, parameter-free similarity models on four of the five datasets. We also demonstrate STANCE's ability to improve downstream tasks by applying it to an instance of cross-document coreference and show that it leads to a 2.8 point improvement in B^3 F1 over the previous state-of-the-art approach.

P. Kabamba developed generation theory as a tool for studying self-reproducing systems. We provide an alternative definition of a generation system and give a complete solution to the problem of finding optimal seeds for a finite self-replicating system. We also exhibit examples illustrating a connection between self-replication and fixed-point theory.

Inverse Stefan problem arising in modeling of laser ablation of biomedical tissues is analyzed, where information on the coefficients, heat flux on the fixed boundary, and density of heat sources are missing and must be found along with the temperature and free boundary. Optimal control framework is employed, where the missing data and the free boundary are components of the control vector, and optimality criteria are based on the final moment measurement of the temperature and position of the free boundary. Discretization by finite differences is pursued, and convergence of the discrete optimal control problems to the original problem is proven.

Ecological systems are dynamic and policies to manage them need to respond to that variation. However, policy adjustments will sometimes be costly, which means that fine-tuning a policy to track variability in the environment very tightly will only sometimes be worthwhile. We use a classic fisheries management question -- how to manage a stochastically varying population using annually varying quotas in order to maximize profit -- to examine how costs of policy adjustment change optimal management recommendations. Costs of policy adjustment (here changes in fishing quotas through time) could take different forms. For example, these costs may respond to the size of the change being implemented, or there could be a fixed cost any time a quota change is made. We show how different forms of policy costs have contrasting implications for optimal policies. Though it is frequently assumed that costs to adjusting policies will dampen variation in the policy, we show that certain cost structures can actually increase variation through time. We further show that failing to account for adjustment costs has a consistently worse economic impact than would assuming these costs are present when they are not.

We discuss the numerical solution of initial value problems for varepsilon^2,varphi''+a(x),varphi=0 in the highly oscillatory regime, i.e., with a(x)>0 and 0<varepsilonll 1. We analyze and implement an approximate solution based on the well-known WKB-ansatz. The resulting approximation error is of magnitude O(varepsilon^{N}) where N refers to the truncation order of the underlying asymptotic series. When the optimal truncation order N_{opt} is chosen, the error behaves like O(varepsilon^{-2}exp(-cvarepsilon^{-1})) with some c>0.

In the stochastic multi-armed bandit problem, a randomized probability matching policy called Thompson sampling (TS) has shown excellent performance in various reward models. In addition to the empirical performance, TS has been shown to achieve asymptotic problem-dependent lower bounds in several models. However, its optimality has been mainly addressed under light-tailed or one-parameter models that belong to exponential families. In this paper, we consider the optimality of TS for the Pareto model that has a heavy tail and is parameterized by two unknown parameters. Specifically, we discuss the optimality of TS with probability matching priors that include the Jeffreys prior and the reference priors. We first prove that TS with certain probability matching priors can achieve the optimal regret bound. Then, we show the suboptimality of TS with other priors, including the Jeffreys and the reference priors. Nevertheless, we find that TS with the Jeffreys and reference priors can achieve the asymptotic lower bound if one uses a truncation procedure. These results suggest carefully choosing noninformative priors to avoid suboptimality and show the effectiveness of truncation procedures in TS-based policies.

We resolve the moving sofa problem by showing that Gerver's construction with 18 curve sections attains the maximum area 2.2195cdots.

Likelihood-free inference methods typically make use of a distance between simulated and real data. A common example is the maximum mean discrepancy (MMD), which has previously been used for approximate Bayesian computation, minimum distance estimation, generalised Bayesian inference, and within the nonparametric learning framework. The MMD is commonly estimated at a root-m rate, where m is the number of simulated samples. This can lead to significant computational challenges since a large m is required to obtain an accurate estimate, which is crucial for parameter estimation. In this paper, we propose a novel estimator for the MMD with significantly improved sample complexity. The estimator is particularly well suited for computationally expensive smooth simulators with low- to mid-dimensional inputs. This claim is supported through both theoretical results and an extensive simulation study on benchmark simulators.

Automated model selection is often proposed to users to choose which machine learning model (or method) to apply to a given regression task. In this paper, we show that combining different regression models can yield better results than selecting a single ('best') regression model, and outline an efficient method that obtains optimally weighted convex linear combination from a heterogeneous set of regression models. More specifically, in this paper, a heuristic weight optimization, used in a preceding conference paper, is replaced by an exact optimization algorithm using convex quadratic programming. We prove convexity of the quadratic programming formulation for the straightforward formulation and for a formulation with weighted data points. The novel weight optimization is not only (more) exact but also more efficient. The methods we develop in this paper are implemented and made available via github-open source. They can be executed on commonly available hardware and offer a transparent and easy to interpret interface. The results indicate that the approach outperforms model selection methods on a range of data sets, including data sets with mixed variable type from drug discovery applications.

This work studies the general principles of improving the learning of language models (LMs), which aims at reducing the necessary training steps for achieving superior performance. Specifically, we present a theory for the optimal learning of LMs. We first propose an objective that optimizes LM learning by maximizing the data compression ratio in an "LM-training-as-lossless-compression" view. Then, we derive a theorem, named Learning Law, to reveal the properties of the dynamics in the optimal learning process under our objective. The theorem is then validated by experiments on a linear classification and a real-world language modeling task. Finally, we empirically verify that the optimal learning of LMs essentially stems from the improvement of the coefficients in the scaling law of LMs, indicating great promise and significance for designing practical learning acceleration methods. Our code can be found at https://aka.ms/LearningLaw.

As large language models increasingly drive real-world applications, aligning them with human values becomes paramount. Reinforcement Learning from Human Feedback (RLHF) has emerged as a key technique, translating preference data into reward models when oracle human values remain inaccessible. In practice, RLHF mostly relies on approximate reward models, which may not consistently guide the policy toward maximizing the underlying human values. We propose Policy-Interpolated Learning for Aligned Feedback (PILAF), a novel response sampling strategy for preference labeling that explicitly aligns preference learning with maximizing the underlying oracle reward. PILAF is theoretically grounded, demonstrating optimality from both an optimization and a statistical perspective. The method is straightforward to implement and demonstrates strong performance in iterative and online RLHF settings where feedback curation is critical.

Vision Language Models (VLMs) have demonstrated strong capabilities across various visual understanding and reasoning tasks. However, their real-world deployment is often constrained by high latency during inference due to substantial compute required to process the large number of input tokens (predominantly from the image) by the LLM. To reduce inference costs, one can either downsize the LLM or reduce the number of input image-tokens, the latter of which has been the focus of many recent works around token compression. However, it is unclear what the optimal trade-off is, as both the factors directly affect the VLM performance. We first characterize this optimal trade-off between the number of visual tokens and LLM parameters by establishing scaling laws that capture variations in performance with these two factors. Our results reveal a surprising trend: for visual reasoning tasks, the inference-optimal behavior in VLMs, i.e., minimum downstream error at any given fixed inference compute, is achieved when using the largest LLM that fits within the inference budget while minimizing visual token count - often to a single token. While the token reduction literature has mainly focused on maintaining base model performance by modestly reducing the token count (e.g., 5-10times), our results indicate that the compute-optimal inference regime requires operating under even higher token compression ratios. Based on these insights, we take some initial steps towards building approaches tailored for high token compression settings. Code is available at https://github.com/locuslab/llava-token-compression.

Large Language Models (LLMs) have become an indispensable part of natural language processing tasks. However, autoregressive sampling has become an efficiency bottleneck. Multi-Draft Speculative Decoding (MDSD) is a recent approach where, when generating each token, a small draft model generates multiple drafts, and the target LLM verifies them in parallel, ensuring that the final output conforms to the target model distribution. The two main design choices in MDSD are the draft sampling method and the verification algorithm. For a fixed draft sampling method, the optimal acceptance rate is a solution to an optimal transport problem, but the complexity of this problem makes it difficult to solve for the optimal acceptance rate and measure the gap between existing verification algorithms and the theoretical upper bound. This paper discusses the dual of the optimal transport problem, providing a way to efficiently compute the optimal acceptance rate. For the first time, we measure the theoretical upper bound of MDSD efficiency for vocabulary sizes in the thousands and quantify the gap between existing verification algorithms and this bound. We also compare different draft sampling methods based on their optimal acceptance rates. Our results show that the draft sampling method strongly influences the optimal acceptance rate, with sampling without replacement outperforming sampling with replacement. Additionally, existing verification algorithms do not reach the theoretical upper bound for both without replacement and with replacement sampling. Our findings suggest that carefully designed draft sampling methods can potentially improve the optimal acceptance rate and enable the development of verification algorithms that closely match the theoretical upper bound.

Transformer-based language models have become a key building block for natural language processing. While these models are extremely accurate, they can be too large and computationally intensive to run on standard deployments. A variety of compression methods, including distillation, quantization, structured and unstructured pruning are known to decrease model size and increase inference speed, with low accuracy loss. In this context, this paper's contributions are two-fold. We perform an in-depth study of the accuracy-compression trade-off for unstructured weight pruning of BERT models. We introduce Optimal BERT Surgeon (oBERT), an efficient and accurate weight pruning method based on approximate second-order information, which we show to yield state-of-the-art results in both stages of language tasks: pre-training and fine-tuning. Specifically, oBERT extends existing work on unstructured second-order pruning by allowing for pruning blocks of weights, and by being applicable at the BERT scale. Second, we investigate the impact of this pruning method when compounding compression approaches to obtain highly compressed but accurate models for deployment on edge devices. These models significantly push boundaries of the current state-of-the-art sparse BERT models with respect to all metrics: model size, inference speed and task accuracy. For example, relative to the dense BERT-base, we obtain 10x model size compression (in MB) with < 1% accuracy drop, 10x CPU-inference speedup with < 2% accuracy drop, and 29x CPU-inference speedup with < 7.5% accuracy drop. Our code, fully integrated with Transformers and SparseML, is available at https://github.com/neuralmagic/sparseml/tree/main/research/optimal_BERT_surgeon_oBERT.

This work studies the combinatorial optimization problem of finding an optimal core tensor shape, also called multilinear rank, for a size-constrained Tucker decomposition. We give an algorithm with provable approximation guarantees for its reconstruction error via connections to higher-order singular values. Specifically, we introduce a novel Tucker packing problem, which we prove is NP-hard, and give a polynomial-time approximation scheme based on a reduction to the 2-dimensional knapsack problem with a matroid constraint. We also generalize our techniques to tree tensor network decompositions. We implement our algorithm using an integer programming solver, and show that its solution quality is competitive with (and sometimes better than) the greedy algorithm that uses the true Tucker decomposition loss at each step, while also running up to 1000x faster.

Quantization has become a popular technique to compress neural networks and reduce compute cost, but most prior work focuses on studying quantization without changing the network size. Many real-world applications of neural networks have compute cost and memory budgets, which can be traded off with model quality by changing the number of parameters. In this work, we use ResNet as a case study to systematically investigate the effects of quantization on inference compute cost-quality tradeoff curves. Our results suggest that for each bfloat16 ResNet model, there are quantized models with lower cost and higher accuracy; in other words, the bfloat16 compute cost-quality tradeoff curve is Pareto-dominated by the 4-bit and 8-bit curves, with models primarily quantized to 4-bit yielding the best Pareto curve. Furthermore, we achieve state-of-the-art results on ImageNet for 4-bit ResNet-50 with quantization-aware training, obtaining a top-1 eval accuracy of 77.09%. We demonstrate the regularizing effect of quantization by measuring the generalization gap. The quantization method we used is optimized for practicality: It requires little tuning and is designed with hardware capabilities in mind. Our work motivates further research into optimal numeric formats for quantization, as well as the development of machine learning accelerators supporting these formats. As part of this work, we contribute a quantization library written in JAX, which is open-sourced at https://github.com/google-research/google-research/tree/master/aqt.

Retrieval-augmented generation (RAG) is a promising method for addressing some of the memory-related challenges associated with Large Language Models (LLMs). Two separate systems form the RAG pipeline, the retriever and the reader, and the impact of each on downstream task performance is not well-understood. Here, we work towards the goal of understanding how retrievers can be optimized for RAG pipelines for common tasks such as Question Answering (QA). We conduct experiments focused on the relationship between retrieval and RAG performance on QA and attributed QA and unveil a number of insights useful to practitioners developing high-performance RAG pipelines. For example, lowering search accuracy has minor implications for RAG performance while potentially increasing retrieval speed and memory efficiency.

One of the main challenges in optimal scaling of large language models (LLMs) is the prohibitive cost of hyperparameter tuning, particularly learning rate eta and batch size B. While techniques like muP (Yang et al., 2022) provide scaling rules for optimal eta transfer in the infinite model size limit, the optimal scaling behavior in the infinite data size limit remains unknown. We fill in this gap by observing for the first time an intricate dependence of optimal eta scaling on the pretraining token budget T, B and its relation to the critical batch size B_crit, which we measure to evolve as B_crit propto T. Furthermore, we show that the optimal batch size is positively correlated with B_crit: keeping it fixed becomes suboptimal over time even if learning rate is scaled optimally. Surprisingly, our results demonstrate that the observed optimal eta and B dynamics are preserved with muP model scaling, challenging the conventional view of B_crit dependence solely on loss value. Complementing optimality, we examine the sensitivity of loss to changes in learning rate, where we find the sensitivity to decrease with increase of T and to remain constant with muP model scaling. We hope our results make the first step towards a unified picture of the joint optimal data and model scaling.

State-of-the-art LLMs are powered by scaling -- scaling model size, dataset size and cluster size. It is economically infeasible to extensively tune hyperparameter for the largest runs. Instead, approximately optimal hyperparameters must be inferred or transferred from smaller experiments. Hyperparameter transfer across model sizes has been studied in Yang et al. However, hyperparameter transfer across dataset size -- or token horizon -- has not been studied yet. To remedy this we conduct a large scale empirical study on how optimal learning rate (LR) depends on token horizon in LLM training. We first demonstrate that the optimal LR changes significantly with token horizon -- longer training necessitates smaller LR. Secondly we demonstrate the the optimal LR follows a scaling law, and that the optimal LR for longer horizons can be accurately estimated from shorter horizons via such scaling laws. We also provide a rule-of-thumb for transferring LR across token horizons with zero overhead over current practices. Lastly we provide evidence that LLama-1 used too high LR, and estimate the performance hit from this. We thus argue that hyperparameter transfer across data size is an important and overlooked component of LLM training.

The optimal training configurations of large language models (LLMs) with respect to model sizes and compute budgets have been extensively studied. But how to optimally configure LLMs during inference has not been explored in sufficient depth. We study compute-optimal inference: designing models and inference strategies that optimally trade off additional inference-time compute for improved performance. As a first step towards understanding and designing compute-optimal inference methods, we assessed the effectiveness and computational efficiency of multiple inference strategies such as Greedy Search, Majority Voting, Best-of-N, Weighted Voting, and their variants on two different Tree Search algorithms, involving different model sizes and computational budgets. We found that a smaller language model with a novel tree search algorithm typically achieves a Pareto-optimal trade-off. These results highlight the potential benefits of deploying smaller models equipped with more sophisticated decoding algorithms in budget-constrained scenarios, e.g., on end-devices, to enhance problem-solving accuracy. For instance, we show that the Llemma-7B model can achieve competitive accuracy to a Llemma-34B model on MATH500 while using 2times less FLOPs. Our findings could potentially apply to any generation task with a well-defined measure of success.

Conversational search, unlike single-turn retrieval tasks, requires understanding the current question within a dialogue context. The common approach of rewrite-then-retrieve aims to decontextualize questions to be self-sufficient for off-the-shelf retrievers, but most existing methods produce sub-optimal query rewrites due to the limited ability to incorporate signals from the retrieval results. To overcome this limitation, we present a novel framework RetPO (Retriever's Preference Optimization), which is designed to optimize a language model (LM) for reformulating search queries in line with the preferences of the target retrieval systems. The process begins by prompting a large LM to produce various potential rewrites and then collects retrieval performance for these rewrites as the retrievers' preferences. Through the process, we construct a large-scale dataset called RF collection, containing Retrievers' Feedback on over 410K query rewrites across 12K conversations. Furthermore, we fine-tune a smaller LM using this dataset to align it with the retrievers' preferences as feedback. The resulting model achieves state-of-the-art performance on two recent conversational search benchmarks, significantly outperforming existing baselines, including GPT-3.5.

Flow matching is a powerful framework for generating high-quality samples in various applications, especially image synthesis. However, the intensive computational demands of these models, especially during the fine-tuning process and sampling processes, pose significant challenges for low-resource scenarios. This paper introduces Bellman Optimal Step-size Straightening (BOSS) technique for distilling flow-matching generative models: it aims specifically for a few-step efficient image sampling while adhering to a computational budget constraint. First, this technique involves a dynamic programming algorithm that optimizes the step sizes of the pretrained network. Then, it refines the velocity network to match the optimal step sizes, aiming to straighten the generation paths. Extensive experimental evaluations across image generation tasks demonstrate the efficacy of BOSS in terms of both resource utilization and image quality. Our results reveal that BOSS achieves substantial gains in efficiency while maintaining competitive sample quality, effectively bridging the gap between low-resource constraints and the demanding requirements of flow-matching generative models. Our paper also fortifies the responsible development of artificial intelligence, offering a more sustainable generative model that reduces computational costs and environmental footprints. Our code can be found at https://github.com/nguyenngocbaocmt02/BOSS.

The overall translation quality reached by current machine translation (MT) systems for high-resourced language pairs is remarkably good. Standard methods of evaluation are not suitable nor intended to uncover the many translation errors and quality deficiencies that still persist. Furthermore, the quality of standard reference translations is commonly questioned and comparable quality levels have been reached by MT alone in several language pairs. Navigating further research in these high-resource settings is thus difficult. In this article, we propose a methodology for creating more reliable document-level human reference translations, called "optimal reference translations," with the simple aim to raise the bar of what should be deemed "human translation quality." We evaluate the obtained document-level optimal reference translations in comparison with "standard" ones, confirming a significant quality increase and also documenting the relationship between evaluation and translation editing.

We consider algorithms for learning reward functions from human preferences over pairs of trajectory segments, as used in reinforcement learning from human feedback (RLHF). Most recent work assumes that human preferences are generated based only upon the reward accrued within those segments, or their partial return. Recent work casts doubt on the validity of this assumption, proposing an alternative preference model based upon regret. We investigate the consequences of assuming preferences are based upon partial return when they actually arise from regret. We argue that the learned function is an approximation of the optimal advantage function, A^*_r, not a reward function. We find that if a specific pitfall is addressed, this incorrect assumption is not particularly harmful, resulting in a highly shaped reward function. Nonetheless, this incorrect usage of A^*_r is less desirable than the appropriate and simpler approach of greedy maximization of A^*_r. From the perspective of the regret preference model, we also provide a clearer interpretation of fine tuning contemporary large language models with RLHF. This paper overall provides insight regarding why learning under the partial return preference model tends to work so well in practice, despite it conforming poorly to how humans give preferences.

Large Language Models (LLMs) and other large foundation models have achieved noteworthy success, but their size exacerbates existing resource consumption and latency challenges. In particular, the large-scale deployment of these models is hindered by the significant resource requirements during inference. In this paper, we study two approaches for mitigating these challenges: employing a cache to store previous queries and learning a model multiplexer to choose from an ensemble of models for query processing. Theoretically, we provide an optimal algorithm for jointly optimizing both approaches to reduce the inference cost in both offline and online tabular settings. By combining a caching algorithm, namely Greedy Dual Size with Frequency (GDSF) or Least Expected Cost (LEC), with a model multiplexer, we achieve optimal rates in both offline and online settings. Empirically, simulations show that the combination of our caching and model multiplexing algorithms greatly improves over the baselines, with up to 50times improvement over the baseline when the ratio between the maximum cost and minimum cost is 100. Experiments on real datasets show a 4.3times improvement in FLOPs over the baseline when the ratio for FLOPs is 10, and a 1.8times improvement in latency when the ratio for average latency is 1.85.

We study the task of agnostically learning halfspaces under the Gaussian distribution. Specifically, given labeled examples (x,y) from an unknown distribution on R^n times { pm 1}, whose marginal distribution on x is the standard Gaussian and the labels y can be arbitrary, the goal is to output a hypothesis with 0-1 loss OPT+epsilon, where OPT is the 0-1 loss of the best-fitting halfspace. We prove a near-optimal computational hardness result for this task, under the widely believed sub-exponential time hardness of the Learning with Errors (LWE) problem. Prior hardness results are either qualitatively suboptimal or apply to restricted families of algorithms. Our techniques extend to yield near-optimal lower bounds for related problems, including ReLU regression.

Regularized optimal transport (OT) is now increasingly used as a loss or as a matching layer in neural networks. Entropy-regularized OT can be computed using the Sinkhorn algorithm but it leads to fully-dense transportation plans, meaning that all sources are (fractionally) matched with all targets. To address this issue, several works have investigated quadratic regularization instead. This regularization preserves sparsity and leads to unconstrained and smooth (semi) dual objectives, that can be solved with off-the-shelf gradient methods. Unfortunately, quadratic regularization does not give direct control over the cardinality (number of nonzeros) of the transportation plan. We propose in this paper a new approach for OT with explicit cardinality constraints on the transportation plan. Our work is motivated by an application to sparse mixture of experts, where OT can be used to match input tokens such as image patches with expert models such as neural networks. Cardinality constraints ensure that at most k tokens are matched with an expert, which is crucial for computational performance reasons. Despite the nonconvexity of cardinality constraints, we show that the corresponding (semi) dual problems are tractable and can be solved with first-order gradient methods. Our method can be thought as a middle ground between unregularized OT (recovered in the limit case k=1) and quadratically-regularized OT (recovered when k is large enough). The smoothness of the objectives increases as k increases, giving rise to a trade-off between convergence speed and sparsity of the optimal plan.

We propose TETRIS, a novel method that optimizes the total throughput of batch speculative decoding in multi-request settings. Unlike existing methods that optimize for a single request or a group of requests as a whole, TETRIS actively selects the most promising draft tokens (for every request in a batch) to be accepted when verified in parallel, resulting in fewer rejected tokens and hence less wasted computing resources. Such an effective resource utilization to achieve fast inference in large language models (LLMs) is especially important to service providers with limited inference capacity. Compared to baseline speculative decoding, TETRIS yields a consistently higher acceptance rate and more effective utilization of the limited inference capacity. We show theoretically and empirically that TETRIS outperforms baseline speculative decoding and existing methods that dynamically select draft tokens, leading to a more efficient batch inference in LLMs.

The field of bioinformatics has seen significant progress, making the cross-modal text-molecule retrieval task increasingly vital. This task focuses on accurately retrieving molecule structures based on textual descriptions, by effectively aligning textual descriptions and molecules to assist researchers in identifying suitable molecular candidates. However, many existing approaches overlook the details inherent in molecule sub-structures. In this work, we introduce the Optimal TRansport-based Multi-grained Alignments model (ORMA), a novel approach that facilitates multi-grained alignments between textual descriptions and molecules. Our model features a text encoder and a molecule encoder. The text encoder processes textual descriptions to generate both token-level and sentence-level representations, while molecules are modeled as hierarchical heterogeneous graphs, encompassing atom, motif, and molecule nodes to extract representations at these three levels. A key innovation in ORMA is the application of Optimal Transport (OT) to align tokens with motifs, creating multi-token representations that integrate multiple token alignments with their corresponding motifs. Additionally, we employ contrastive learning to refine cross-modal alignments at three distinct scales: token-atom, multitoken-motif, and sentence-molecule, ensuring that the similarities between correctly matched text-molecule pairs are maximized while those of unmatched pairs are minimized. To our knowledge, this is the first attempt to explore alignments at both the motif and multi-token levels. Experimental results on the ChEBI-20 and PCdes datasets demonstrate that ORMA significantly outperforms existing state-of-the-art (SOTA) models.

With the widespread adoption of machine learning systems, the need to curtail their behavior has become increasingly apparent. This is evidenced by recent advancements towards developing models that satisfy robustness, safety, and fairness requirements. These requirements can be imposed (with generalization guarantees) by formulating constrained learning problems that can then be tackled by dual ascent algorithms. Yet, though these algorithms converge in objective value, even in non-convex settings, they cannot guarantee that their outcome is feasible. Doing so requires randomizing over all iterates, which is impractical in virtually any modern applications. Still, final iterates have been observed to perform well in practice. In this work, we address this gap between theory and practice by characterizing the constraint violation of Lagrangian minimizers associated with optimal dual variables, despite lack of convexity. To do this, we leverage the fact that non-convex, finite-dimensional constrained learning problems can be seen as parametrizations of convex, functional problems. Our results show that rich parametrizations effectively mitigate the issue of feasibility in dual methods, shedding light on prior empirical successes of dual learning. We illustrate our findings in fair learning tasks.

The problem of minimizing the maximum of N convex, Lipschitz functions plays significant roles in optimization and machine learning. It has a series of results, with the most recent one requiring O(Nepsilon^{-2/3} + epsilon^{-8/3}) queries to a first-order oracle to compute an epsilon-suboptimal point. On the other hand, quantum algorithms for optimization are rapidly advancing with speedups shown on many important optimization problems. In this paper, we conduct a systematic study for quantum algorithms and lower bounds for minimizing the maximum of N convex, Lipschitz functions. On one hand, we develop quantum algorithms with an improved complexity bound of O(Nepsilon^{-5/3} + epsilon^{-8/3}). On the other hand, we prove that quantum algorithms must take Omega(Nepsilon^{-2/3}) queries to a first order quantum oracle, showing that our dependence on N is optimal up to poly-logarithmic factors.

Feature shaping refers to a family of methods that exhibit state-of-the-art performance for out-of-distribution (OOD) detection. These approaches manipulate the feature representation, typically from the penultimate layer of a pre-trained deep learning model, so as to better differentiate between in-distribution (ID) and OOD samples. However, existing feature-shaping methods usually employ rules manually designed for specific model architectures and OOD datasets, which consequently limit their generalization ability. To address this gap, we first formulate an abstract optimization framework for studying feature-shaping methods. We then propose a concrete reduction of the framework with a simple piecewise constant shaping function and show that existing feature-shaping methods approximate the optimal solution to the concrete optimization problem. Further, assuming that OOD data is inaccessible, we propose a formulation that yields a closed-form solution for the piecewise constant shaping function, utilizing solely the ID data. Through extensive experiments, we show that the feature-shaping function optimized by our method improves the generalization ability of OOD detection across a large variety of datasets and model architectures.

We study online reinforcement learning in linear Markov decision processes with adversarial losses and bandit feedback, without prior knowledge on transitions or access to simulators. We introduce two algorithms that achieve improved regret performance compared to existing approaches. The first algorithm, although computationally inefficient, ensures a regret of mathcal{O}left(Kright), where K is the number of episodes. This is the first result with the optimal K dependence in the considered setting. The second algorithm, which is based on the policy optimization framework, guarantees a regret of mathcal{O}left(K^{3{4}} right) and is computationally efficient. Both our results significantly improve over the state-of-the-art: a computationally inefficient algorithm by Kong et al. [2023] with mathcal{O}left(K^{4{5}}+polyleft(1{lambda_{min}}right) right) regret, for some problem-dependent constant lambda_{min} that can be arbitrarily close to zero, and a computationally efficient algorithm by Sherman et al. [2023b] with mathcal{O}left(K^{6{7}} right) regret.

The optimal transport problem for measures supported on non-Euclidean spaces has recently gained ample interest in diverse applications involving representation learning. In this paper, we focus on circular probability measures, i.e., probability measures supported on the unit circle, and introduce a new computationally efficient metric for these measures, denoted as Linear Circular Optimal Transport (LCOT). The proposed metric comes with an explicit linear embedding that allows one to apply Machine Learning (ML) algorithms to the embedded measures and seamlessly modify the underlying metric for the ML algorithm to LCOT. We show that the proposed metric is rooted in the Circular Optimal Transport (COT) and can be considered the linearization of the COT metric with respect to a fixed reference measure. We provide a theoretical analysis of the proposed metric and derive the computational complexities for pairwise comparison of circular probability measures. Lastly, through a set of numerical experiments, we demonstrate the benefits of LCOT in learning representations of circular measures.

We study principal-agent problems in which a principal commits to an outcome-dependent payment scheme -- called contract -- in order to induce an agent to take a costly, unobservable action leading to favorable outcomes. We consider a generalization of the classical (single-round) version of the problem in which the principal interacts with the agent by committing to contracts over multiple rounds. The principal has no information about the agent, and they have to learn an optimal contract by only observing the outcome realized at each round. We focus on settings in which the size of the agent's action space is small. We design an algorithm that learns an approximately-optimal contract with high probability in a number of rounds polynomial in the size of the outcome space, when the number of actions is constant. Our algorithm solves an open problem by Zhu et al.[2022]. Moreover, it can also be employed to provide a mathcal{O}(T^{4/5}) regret bound in the related online learning setting in which the principal aims at maximizing their cumulative utility, thus considerably improving previously-known regret bounds.

To optimally coordinate with others in cooperative games, it is often crucial to have information about one's collaborators: successful driving requires understanding which side of the road to drive on. However, not every feature of collaborators is strategically relevant: the fine-grained acceleration of drivers may be ignored while maintaining optimal coordination. We show that there is a well-defined dichotomy between strategically relevant and irrelevant information. Moreover, we show that, in dynamic games, this dichotomy has a compact representation that can be efficiently computed via a Bellman backup operator. We apply this algorithm to analyze the strategically relevant information for tasks in both a standard and a partially observable version of the Overcooked environment. Theoretical and empirical results show that our algorithms are significantly more efficient than baselines. Videos are available at https://minknowledge.github.io.

Survival prediction is a complicated ordinal regression task that aims to predict the ranking risk of death, which generally benefits from the integration of histology and genomic data. Despite the progress in joint learning from pathology and genomics, existing methods still suffer from challenging issues: 1) Due to the large size of pathological images, it is difficult to effectively represent the gigapixel whole slide images (WSIs). 2) Interactions within tumor microenvironment (TME) in histology are essential for survival analysis. Although current approaches attempt to model these interactions via co-attention between histology and genomic data, they focus on only dense local similarity across modalities, which fails to capture global consistency between potential structures, i.e. TME-related interactions of histology and co-expression of genomic data. To address these challenges, we propose a Multimodal Optimal Transport-based Co-Attention Transformer framework with global structure consistency, in which optimal transport (OT) is applied to match patches of a WSI and genes embeddings for selecting informative patches to represent the gigapixel WSI. More importantly, OT-based co-attention provides a global awareness to effectively capture structural interactions within TME for survival prediction. To overcome high computational complexity of OT, we propose a robust and efficient implementation over micro-batch of WSI patches by approximating the original OT with unbalanced mini-batch OT. Extensive experiments show the superiority of our method on five benchmark datasets compared to the state-of-the-art methods. The code is released.

The trade-off between regret and computational cost is a fundamental problem for online kernel regression, and previous algorithms worked on the trade-off can not keep optimal regret bounds at a sublinear computational complexity. In this paper, we propose two new algorithms, AOGD-ALD and NONS-ALD, which can keep nearly optimal regret bounds at a sublinear computational complexity, and give sufficient conditions under which our algorithms work. Both algorithms dynamically maintain a group of nearly orthogonal basis used to approximate the kernel mapping, and keep nearly optimal regret bounds by controlling the approximate error. The number of basis depends on the approximate error and the decay rate of eigenvalues of the kernel matrix. If the eigenvalues decay exponentially, then AOGD-ALD and NONS-ALD separately achieves a regret of O(L(f)) and O(d_{eff}(mu)T) at a computational complexity in O(ln^2{T}). If the eigenvalues decay polynomially with degree pgeq 1, then our algorithms keep the same regret bounds at a computational complexity in o(T) in the case of p>4 and pgeq 10, respectively. L(f) is the cumulative losses of f and d_{eff}(mu) is the effective dimension of the problem. The two regret bounds are nearly optimal and are not comparable.

This paper investigates conservative exploration in reinforcement learning where the performance of the learning agent is guaranteed to be above a certain threshold throughout the learning process. It focuses on the tabular episodic Markov Decision Process (MDP) setting that has finite states and actions. With the knowledge of an existing safe baseline policy, an algorithm termed as StepMix is proposed to balance the exploitation and exploration while ensuring that the conservative constraint is never violated in each episode with high probability. StepMix features a unique design of a mixture policy that adaptively and smoothly interpolates between the baseline policy and the optimistic policy. Theoretical analysis shows that StepMix achieves near-optimal regret order as in the constraint-free setting, indicating that obeying the stringent episode-wise conservative constraint does not compromise the learning performance. Besides, a randomization-based EpsMix algorithm is also proposed and shown to achieve the same performance as StepMix. The algorithm design and theoretical analysis are further extended to the setting where the baseline policy is not given a priori but must be learned from an offline dataset, and it is proved that similar conservative guarantee and regret can be achieved if the offline dataset is sufficiently large. Experiment results corroborate the theoretical analysis and demonstrate the effectiveness of the proposed conservative exploration strategies.

Monolingual word alignment is crucial to model semantic interactions between sentences. In particular, null alignment, a phenomenon in which words have no corresponding counterparts, is pervasive and critical in handling semantically divergent sentences. Identification of null alignment is useful on its own to reason about the semantic similarity of sentences by indicating there exists information inequality. To achieve unbalanced word alignment that values both alignment and null alignment, this study shows that the family of optimal transport (OT), i.e., balanced, partial, and unbalanced OT, are natural and powerful approaches even without tailor-made techniques. Our extensive experiments covering unsupervised and supervised settings indicate that our generic OT-based alignment methods are competitive against the state-of-the-arts specially designed for word alignment, remarkably on challenging datasets with high null alignment frequencies.

k-Clustering in R^d (e.g., k-median and k-means) is a fundamental machine learning problem. While near-linear time approximation algorithms were known in the classical setting for a dataset with cardinality n, it remains open to find sublinear-time quantum algorithms. We give quantum algorithms that find coresets for k-clustering in R^d with O(nkd^{3/2}) query complexity. Our coreset reduces the input size from n to poly(kepsilon^{-1}d), so that existing alpha-approximation algorithms for clustering can run on top of it and yield (1 + epsilon)alpha-approximation. This eventually yields a quadratic speedup for various k-clustering approximation algorithms. We complement our algorithm with a nearly matching lower bound, that any quantum algorithm must make Omega(nk) queries in order to achieve even O(1)-approximation for k-clustering.

We propose an image restoration algorithm that can control the perceptual quality and/or the mean square error (MSE) of any pre-trained model, trading one over the other at test time. Our algorithm is few-shot: Given about a dozen images restored by the model, it can significantly improve the perceptual quality and/or the MSE of the model for newly restored images without further training. Our approach is motivated by a recent theoretical result that links between the minimum MSE (MMSE) predictor and the predictor that minimizes the MSE under a perfect perceptual quality constraint. Specifically, it has been shown that the latter can be obtained by optimally transporting the output of the former, such that its distribution matches the source data. Thus, to improve the perceptual quality of a predictor that was originally trained to minimize MSE, we approximate the optimal transport by a linear transformation in the latent space of a variational auto-encoder, which we compute in closed-form using empirical means and covariances. Going beyond the theory, we find that applying the same procedure on models that were initially trained to achieve high perceptual quality, typically improves their perceptual quality even further. And by interpolating the results with the original output of the model, we can improve their MSE on the expense of perceptual quality. We illustrate our method on a variety of degradations applied to general content images of arbitrary dimensions.

In the experts problem, on each of T days, an agent needs to follow the advice of one of n ``experts''. After each day, the loss associated with each expert's advice is revealed. A fundamental result in learning theory says that the agent can achieve vanishing regret, i.e. their cumulative loss is within o(T) of the cumulative loss of the best-in-hindsight expert. Can the agent perform well without sufficient space to remember all the experts? We extend a nascent line of research on this question in two directions: bullet We give a new algorithm against the oblivious adversary, improving over the memory-regret tradeoff obtained by [PZ23], and nearly matching the lower bound of [SWXZ22]. bullet We also consider an adaptive adversary who can observe past experts chosen by the agent. In this setting we give both a new algorithm and a novel lower bound, proving that roughly n memory is both necessary and sufficient for obtaining o(T) regret.

We consider online learning problems in the realizable setting, where there is a zero-loss solution, and propose new Differentially Private (DP) algorithms that obtain near-optimal regret bounds. For the problem of online prediction from experts, we design new algorithms that obtain near-optimal regret {O} big( varepsilon^{-1} log^{1.5}{d} big) where d is the number of experts. This significantly improves over the best existing regret bounds for the DP non-realizable setting which are {O} big( varepsilon^{-1} minbig{d, T^{1/3}log dbig} big). We also develop an adaptive algorithm for the small-loss setting with regret O(L^starlog d + varepsilon^{-1} log^{1.5}{d}) where L^star is the total loss of the best expert. Additionally, we consider DP online convex optimization in the realizable setting and propose an algorithm with near-optimal regret O big(varepsilon^{-1} d^{1.5} big), as well as an algorithm for the smooth case with regret O big( varepsilon^{-2/3} (dT)^{1/3} big), both significantly improving over existing bounds in the non-realizable regime.

We consider online learning in multi-player smooth monotone games. Existing algorithms have limitations such as (1) being only applicable to strongly monotone games; (2) lacking the no-regret guarantee; (3) having only asymptotic or slow O(1{T}) last-iterate convergence rate to a Nash equilibrium. While the O(1{T}) rate is tight for a large class of algorithms including the well-studied extragradient algorithm and optimistic gradient algorithm, it is not optimal for all gradient-based algorithms. We propose the accelerated optimistic gradient (AOG) algorithm, the first doubly optimal no-regret learning algorithm for smooth monotone games. Namely, our algorithm achieves both (i) the optimal O(T) regret in the adversarial setting under smooth and convex loss functions and (ii) the optimal O(1{T}) last-iterate convergence rate to a Nash equilibrium in multi-player smooth monotone games. As a byproduct of the accelerated last-iterate convergence rate, we further show that each player suffers only an O(log T) individual worst-case dynamic regret, providing an exponential improvement over the previous state-of-the-art O(T) bound.

In this paper, we study the predict-then-optimize problem where the output of a machine learning prediction task is used as the input of some downstream optimization problem, say, the objective coefficient vector of a linear program. The problem is also known as predictive analytics or contextual linear programming. The existing approaches largely suffer from either (i) optimization intractability (a non-convex objective function)/statistical inefficiency (a suboptimal generalization bound) or (ii) requiring strong condition(s) such as no constraint or loss calibration. We develop a new approach to the problem called maximum optimality margin which designs the machine learning loss function by the optimality condition of the downstream optimization. The max-margin formulation enjoys both computational efficiency and good theoretical properties for the learning procedure. More importantly, our new approach only needs the observations of the optimal solution in the training data rather than the objective function, which makes it a new and natural approach to the inverse linear programming problem under both contextual and context-free settings; we also analyze the proposed method under both offline and online settings, and demonstrate its performance using numerical experiments.

We study the use of amortized optimization to predict optimal transport (OT) maps from the input measures, which we call Meta OT. This helps repeatedly solve similar OT problems between different measures by leveraging the knowledge and information present from past problems to rapidly predict and solve new problems. Otherwise, standard methods ignore the knowledge of the past solutions and suboptimally re-solve each problem from scratch. We instantiate Meta OT models in discrete and continuous settings between grayscale images, spherical data, classification labels, and color palettes and use them to improve the computational time of standard OT solvers. Our source code is available at http://github.com/facebookresearch/meta-ot

We introduce a novel neural network-based algorithm to compute optimal transport (OT) plans for general cost functionals. In contrast to common Euclidean costs, i.e., ell^1 or ell^2, such functionals provide more flexibility and allow using auxiliary information, such as class labels, to construct the required transport map. Existing methods for general costs are discrete and have limitations in practice, i.e. they do not provide an out-of-sample estimation. We address the challenge of designing a continuous OT approach for general costs that generalizes to new data points in high-dimensional spaces, such as images. Additionally, we provide the theoretical error analysis for our recovered transport plans. As an application, we construct a cost functional to map data distributions while preserving the class-wise structure.

Synthesizing optimal controllers for dynamical systems often involves solving optimization problems with hard real-time constraints. These constraints determine the class of numerical methods that can be applied: computationally expensive but accurate numerical routines are replaced by fast and inaccurate methods, trading inference time for solution accuracy. This paper provides techniques to improve the quality of optimized control policies given a fixed computational budget. We achieve the above via a hypersolvers approach, which hybridizes a differential equation solver and a neural network. The performance is evaluated in direct and receding-horizon optimal control tasks in both low and high dimensions, where the proposed approach shows consistent Pareto improvements in solution accuracy and control performance.

Speech translation models are unable to directly process long audios, like TED talks, which have to be split into shorter segments. Speech translation datasets provide manual segmentations of the audios, which are not available in real-world scenarios, and existing segmentation methods usually significantly reduce translation quality at inference time. To bridge the gap between the manual segmentation of training and the automatic one at inference, we propose Supervised Hybrid Audio Segmentation (SHAS), a method that can effectively learn the optimal segmentation from any manually segmented speech corpus. First, we train a classifier to identify the included frames in a segmentation, using speech representations from a pre-trained wav2vec 2.0. The optimal splitting points are then found by a probabilistic Divide-and-Conquer algorithm that progressively splits at the frame of lowest probability until all segments are below a pre-specified length. Experiments on MuST-C and mTEDx show that the translation of the segments produced by our method approaches the quality of the manual segmentation on 5 language pairs. Namely, SHAS retains 95-98% of the manual segmentation's BLEU score, compared to the 87-93% of the best existing methods. Our method is additionally generalizable to different domains and achieves high zero-shot performance in unseen languages.

We consider the combinatorial bandits problem with semi-bandit feedback under finite sampling budget constraints, in which the learner can carry out its action only for a limited number of times specified by an overall budget. The action is to choose a set of arms, whereupon feedback for each arm in the chosen set is received. Unlike existing works, we study this problem in a non-stochastic setting with subset-dependent feedback, i.e., the semi-bandit feedback received could be generated by an oblivious adversary and also might depend on the chosen set of arms. In addition, we consider a general feedback scenario covering both the numerical-based as well as preference-based case and introduce a sound theoretical framework for this setting guaranteeing sensible notions of optimal arms, which a learner seeks to find. We suggest a generic algorithm suitable to cover the full spectrum of conceivable arm elimination strategies from aggressive to conservative. Theoretical questions about the sufficient and necessary budget of the algorithm to find the best arm are answered and complemented by deriving lower bounds for any learning algorithm for this problem scenario.

Fine-tuned language models use greedy decoding to answer reading comprehension questions with relative success. However, this approach does not ensure that the answer is a span in the given passage, nor does it guarantee that it is the most probable one. Does greedy decoding actually perform worse than an algorithm that does adhere to these properties? To study the performance and optimality of greedy decoding, we present exact-extract, a decoding algorithm that efficiently finds the most probable answer span in the context. We compare the performance of T5 with both decoding algorithms on zero-shot and few-shot extractive question answering. When no training examples are available, exact-extract significantly outperforms greedy decoding. However, greedy decoding quickly converges towards the performance of exact-extract with the introduction of a few training examples, becoming more extractive and increasingly likelier to generate the most probable span as the training set grows. We also show that self-supervised training can bias the model towards extractive behavior, increasing performance in the zero-shot setting without resorting to annotated examples. Overall, our results suggest that pretrained language models are so good at adapting to extractive question answering, that it is often enough to fine-tune on a small training set for the greedy algorithm to emulate the optimal decoding strategy.

There are a huge number of features which are said to improve Convolutional Neural Network (CNN) accuracy. Practical testing of combinations of such features on large datasets, and theoretical justification of the result, is required. Some features operate on certain models exclusively and for certain problems exclusively, or only for small-scale datasets; while some features, such as batch-normalization and residual-connections, are applicable to the majority of models, tasks, and datasets. We assume that such universal features include Weighted-Residual-Connections (WRC), Cross-Stage-Partial-connections (CSP), Cross mini-Batch Normalization (CmBN), Self-adversarial-training (SAT) and Mish-activation. We use new features: WRC, CSP, CmBN, SAT, Mish activation, Mosaic data augmentation, CmBN, DropBlock regularization, and CIoU loss, and combine some of them to achieve state-of-the-art results: 43.5% AP (65.7% AP50) for the MS COCO dataset at a realtime speed of ~65 FPS on Tesla V100. Source code is at https://github.com/AlexeyAB/darknet

We consider the inverse Stefan type free boundary problem, where information on the boundary heat flux and density of the sources are missing and must be found along with the temperature and the free boundary. We pursue optimal control framework where boundary heat flux, density of sources, and free boundary are components of the control vector. The optimality criteria consists of the minimization of the L_2-norm declinations of the temperature measurements at the final moment, phase transition temperature, and final position of the free boundary. We prove the Frechet differentiability in Besov spaces, and derive the formula for the Frechet differential under minimal regularity assumptions on the data. The result implies a necessary condition for optimal control and opens the way to the application of projective gradient methods in Besov spaces for the numerical solution of the inverse Stefan problem.

Kernel methods are widely used in machine learning, especially for classification problems. However, the theoretical analysis of kernel classification is still limited. This paper investigates the statistical performances of kernel classifiers. With some mild assumptions on the conditional probability eta(x)=P(Y=1mid X=x), we derive an upper bound on the classification excess risk of a kernel classifier using recent advances in the theory of kernel regression. We also obtain a minimax lower bound for Sobolev spaces, which shows the optimality of the proposed classifier. Our theoretical results can be extended to the generalization error of overparameterized neural network classifiers. To make our theoretical results more applicable in realistic settings, we also propose a simple method to estimate the interpolation smoothness of 2eta(x)-1 and apply the method to real datasets.

The higher-order correlation clustering problem is an expressive model, and recently, local search heuristics have been proposed for several applications. Certifying optimality, however, is NP-hard and practically hampered already by the complexity of the problem statement. Here, we focus on establishing partial optimality conditions for the special case of complete graphs and cubic objective functions. In addition, we define and implement algorithms for testing these conditions and examine their effect numerically, on two datasets.

We investigate the optimal model size and number of tokens for training a transformer language model under a given compute budget. We find that current large language models are significantly undertrained, a consequence of the recent focus on scaling language models whilst keeping the amount of training data constant. By training over 400 language models ranging from 70 million to over 16 billion parameters on 5 to 500 billion tokens, we find that for compute-optimal training, the model size and the number of training tokens should be scaled equally: for every doubling of model size the number of training tokens should also be doubled. We test this hypothesis by training a predicted compute-optimal model, Chinchilla, that uses the same compute budget as Gopher but with 70B parameters and 4times more more data. Chinchilla uniformly and significantly outperforms Gopher (280B), GPT-3 (175B), Jurassic-1 (178B), and Megatron-Turing NLG (530B) on a large range of downstream evaluation tasks. This also means that Chinchilla uses substantially less compute for fine-tuning and inference, greatly facilitating downstream usage. As a highlight, Chinchilla reaches a state-of-the-art average accuracy of 67.5% on the MMLU benchmark, greater than a 7% improvement over Gopher.

Foundation models are first pre-trained on vast unsupervised datasets and then fine-tuned on labeled data. Reinforcement learning, notably from human feedback (RLHF), can further align the network with the intended usage. Yet the imperfections in the proxy reward may hinder the training and lead to suboptimal results; the diversity of objectives in real-world tasks and human opinions exacerbate the issue. This paper proposes embracing the heterogeneity of diverse rewards by following a multi-policy strategy. Rather than focusing on a single a priori reward, we aim for Pareto-optimal generalization across the entire space of preferences. To this end, we propose rewarded soup, first specializing multiple networks independently (one for each proxy reward) and then interpolating their weights linearly. This succeeds empirically because we show that the weights remain linearly connected when fine-tuned on diverse rewards from a shared pre-trained initialization. We demonstrate the effectiveness of our approach for text-to-text (summarization, Q&A, helpful assistant, review), text-image (image captioning, text-to-image generation, visual grounding, VQA), and control (locomotion) tasks. We hope to enhance the alignment of deep models, and how they interact with the world in all its diversity.

We study recent research advances that improve large language models through efficient pre-training and scaling, and open datasets and tools. We combine these advances to introduce Cerebras-GPT, a family of open compute-optimal language models scaled from 111M to 13B parameters. We train Cerebras-GPT models on the Eleuther Pile dataset following DeepMind Chinchilla scaling rules for efficient pre-training (highest accuracy for a given compute budget). We characterize the predictable power-law scaling and compare Cerebras-GPT with other publicly-available models to show all Cerebras-GPT models have state-of-the-art training efficiency on both pre-training and downstream objectives. We describe our learnings including how Maximal Update Parameterization (muP) can further improve large model scaling, improving accuracy and hyperparameter predictability at scale. We release our pre-trained models and code, making this paper the first open and reproducible work comparing compute-optimal model scaling to models trained on fixed dataset sizes. Cerebras-GPT models are available on HuggingFace: https://huggingface.co/cerebras.

AdaBoost is a classic boosting algorithm for combining multiple inaccurate classifiers produced by a weak learner, to produce a strong learner with arbitrarily high accuracy when given enough training data. Determining the optimal number of samples necessary to obtain a given accuracy of the strong learner, is a basic learning theoretic question. Larsen and Ritzert (NeurIPS'22) recently presented the first provably optimal weak-to-strong learner. However, their algorithm is somewhat complicated and it remains an intriguing question whether the prototypical boosting algorithm AdaBoost also makes optimal use of training samples. In this work, we answer this question in the negative. Concretely, we show that the sample complexity of AdaBoost, and other classic variations thereof, are sub-optimal by at least one logarithmic factor in the desired accuracy of the strong learner.

Recent successful generative models are trained by fitting a neural network to an a-priori defined tractable probability density path taking noise to training examples. In this paper we investigate the space of Gaussian probability paths, which includes diffusion paths as an instance, and look for an optimal member in some useful sense. In particular, minimizing the Kinetic Energy (KE) of a path is known to make particles' trajectories simple, hence easier to sample, and empirically improve performance in terms of likelihood of unseen data and sample generation quality. We investigate Kinetic Optimal (KO) Gaussian paths and offer the following observations: (i) We show the KE takes a simplified form on the space of Gaussian paths, where the data is incorporated only through a single, one dimensional scalar function, called the data separation function. (ii) We characterize the KO solutions with a one dimensional ODE. (iii) We approximate data-dependent KO paths by approximating the data separation function and minimizing the KE. (iv) We prove that the data separation function converges to 1 in the general case of arbitrary normalized dataset consisting of n samples in d dimension as n/drightarrow 0. A consequence of this result is that the Conditional Optimal Transport (Cond-OT) path becomes kinetic optimal as n/drightarrow 0. We further support this theory with empirical experiments on ImageNet.

In the misspecified kernel ridge regression problem, researchers usually assume the underground true function f_{rho}^{*} in [H]^{s}, a less-smooth interpolation space of a reproducing kernel Hilbert space (RKHS) H for some sin (0,1). The existing minimax optimal results require |f_{rho}^{*}|_{L^{infty}}<infty which implicitly requires s > alpha_{0} where alpha_{0}in (0,1) is the embedding index, a constant depending on H. Whether the KRR is optimal for all sin (0,1) is an outstanding problem lasting for years. In this paper, we show that KRR is minimax optimal for any sin (0,1) when the H is a Sobolev RKHS.

Policy optimization methods with function approximation are widely used in multi-agent reinforcement learning. However, it remains elusive how to design such algorithms with statistical guarantees. Leveraging a multi-agent performance difference lemma that characterizes the landscape of multi-agent policy optimization, we find that the localized action value function serves as an ideal descent direction for each local policy. Motivated by the observation, we present a multi-agent PPO algorithm in which the local policy of each agent is updated similarly to vanilla PPO. We prove that with standard regularity conditions on the Markov game and problem-dependent quantities, our algorithm converges to the globally optimal policy at a sublinear rate. We extend our algorithm to the off-policy setting and introduce pessimism to policy evaluation, which aligns with experiments. To our knowledge, this is the first provably convergent multi-agent PPO algorithm in cooperative Markov games.

While efficient distribution learning is no doubt behind the groundbreaking success of diffusion modeling, its theoretical guarantees are quite limited. In this paper, we provide the first rigorous analysis on approximation and generalization abilities of diffusion modeling for well-known function spaces. The highlight of this paper is that when the true density function belongs to the Besov space and the empirical score matching loss is properly minimized, the generated data distribution achieves the nearly minimax optimal estimation rates in the total variation distance and in the Wasserstein distance of order one. Furthermore, we extend our theory to demonstrate how diffusion models adapt to low-dimensional data distributions. We expect these results advance theoretical understandings of diffusion modeling and its ability to generate verisimilar outputs.

We present the OMG-CMDP! algorithm for regret minimization in adversarial Contextual MDPs. The algorithm operates under the minimal assumptions of realizable function class and access to online least squares and log loss regression oracles. Our algorithm is efficient (assuming efficient online regression oracles), simple and robust to approximation errors. It enjoys an O(H^{2.5} T|S||A| ( mathcal{R(O) + H log(delta^{-1}) )}) regret guarantee, with T being the number of episodes, S the state space, A the action space, H the horizon and R(O) = R(O_{sq}^F) + R(O_{log}^P) is the sum of the regression oracles' regret, used to approximate the context-dependent rewards and dynamics, respectively. To the best of our knowledge, our algorithm is the first efficient rate optimal regret minimization algorithm for adversarial CMDPs that operates under the minimal standard assumption of online function approximation.

We propose a new definition of instance optimality for differentially private estimation algorithms. Our definition requires an optimal algorithm to compete, simultaneously for every dataset D, with the best private benchmark algorithm that (a) knows D in advance and (b) is evaluated by its worst-case performance on large subsets of D. That is, the benchmark algorithm need not perform well when potentially extreme points are added to D; it only has to handle the removal of a small number of real data points that already exist. This makes our benchmark significantly stronger than those proposed in prior work. We nevertheless show, for real-valued datasets, how to construct private algorithms that achieve our notion of instance optimality when estimating a broad class of dataset properties, including means, quantiles, and ell_p-norm minimizers. For means in particular, we provide a detailed analysis and show that our algorithm simultaneously matches or exceeds the asymptotic performance of existing algorithms under a range of distributional assumptions.

Polynomial filters, a kind of Graph Neural Networks, typically use a predetermined polynomial basis and learn the coefficients from the training data. It has been observed that the effectiveness of the model is highly dependent on the property of the polynomial basis. Consequently, two natural and fundamental questions arise: Can we learn a suitable polynomial basis from the training data? Can we determine the optimal polynomial basis for a given graph and node features? In this paper, we propose two spectral GNN models that provide positive answers to the questions posed above. First, inspired by Favard's Theorem, we propose the FavardGNN model, which learns a polynomial basis from the space of all possible orthonormal bases. Second, we examine the supposedly unsolvable definition of optimal polynomial basis from Wang & Zhang (2022) and propose a simple model, OptBasisGNN, which computes the optimal basis for a given graph structure and graph signal. Extensive experiments are conducted to demonstrate the effectiveness of our proposed models.

In this paper, we study risk-sensitive Reinforcement Learning (RL), focusing on the objective of Conditional Value at Risk (CVaR) with risk tolerance tau. Starting with multi-arm bandits (MABs), we show the minimax CVaR regret rate is Omega(tau^{-1AK}), where A is the number of actions and K is the number of episodes, and that it is achieved by an Upper Confidence Bound algorithm with a novel Bernstein bonus. For online RL in tabular Markov Decision Processes (MDPs), we show a minimax regret lower bound of Omega(tau^{-1SAK}) (with normalized cumulative rewards), where S is the number of states, and we propose a novel bonus-driven Value Iteration procedure. We show that our algorithm achieves the optimal regret of widetilde O(tau^{-1SAK}) under a continuity assumption and in general attains a near-optimal regret of widetilde O(tau^{-1}SAK), which is minimax-optimal for constant tau. This improves on the best available bounds. By discretizing rewards appropriately, our algorithms are computationally efficient.

Given a matrix Ain R^{ntimes d} and a vector bin R^n, we consider the regression problem with ell_infty guarantees: finding a vector x'in R^d such that |x'-x^*|_infty leq epsilon{d}cdot |Ax^*-b|_2cdot |A^dagger| where x^*=argmin_{xin R^d}|Ax-b|_2. One popular approach for solving such ell_2 regression problem is via sketching: picking a structured random matrix Sin R^{mtimes n} with mll n and SA can be quickly computed, solve the ``sketched'' regression problem argmin_{xin R^d} |SAx-Sb|_2. In this paper, we show that in order to obtain such ell_infty guarantee for ell_2 regression, one has to use sketching matrices that are dense. To the best of our knowledge, this is the first user case in which dense sketching matrices are necessary. On the algorithmic side, we prove that there exists a distribution of dense sketching matrices with m=epsilon^{-2}dlog^3(n/delta) such that solving the sketched regression problem gives the ell_infty guarantee, with probability at least 1-delta. Moreover, the matrix SA can be computed in time O(ndlog n). Our row count is nearly-optimal up to logarithmic factors, and significantly improves the result in [Price, Song and Woodruff, ICALP'17], in which a super-linear in d rows, m=Omega(epsilon^{-2}d^{1+gamma}) for gamma=Theta(frac{loglog n{log d}}) is required. We also develop a novel analytical framework for ell_infty guarantee regression that utilizes the Oblivious Coordinate-wise Embedding (OCE) property introduced in [Song and Yu, ICML'21]. Our analysis is arguably much simpler and more general than [Price, Song and Woodruff, ICALP'17], and it extends to dense sketches for tensor product of vectors.

We consider the problem of estimating the optimal transport map between two probability distributions, P and Q in mathbb R^d, on the basis of i.i.d. samples. All existing statistical analyses of this problem require the assumption that the transport map is Lipschitz, a strong requirement that, in particular, excludes any examples where the transport map is discontinuous. As a first step towards developing estimation procedures for discontinuous maps, we consider the important special case where the data distribution Q is a discrete measure supported on a finite number of points in mathbb R^d. We study a computationally efficient estimator initially proposed by Pooladian and Niles-Weed (2021), based on entropic optimal transport, and show in the semi-discrete setting that it converges at the minimax-optimal rate n^{-1/2}, independent of dimension. Other standard map estimation techniques both lack finite-sample guarantees in this setting and provably suffer from the curse of dimensionality. We confirm these results in numerical experiments, and provide experiments for other settings, not covered by our theory, which indicate that the entropic estimator is a promising methodology for other discontinuous transport map estimation problems.

We study a family of adversarial multiclass classification problems and provide equivalent reformulations in terms of: 1) a family of generalized barycenter problems introduced in the paper and 2) a family of multimarginal optimal transport problems where the number of marginals is equal to the number of classes in the original classification problem. These new theoretical results reveal a rich geometric structure of adversarial learning problems in multiclass classification and extend recent results restricted to the binary classification setting. A direct computational implication of our results is that by solving either the barycenter problem and its dual, or the MOT problem and its dual, we can recover the optimal robust classification rule and the optimal adversarial strategy for the original adversarial problem. Examples with synthetic and real data illustrate our results.