Li, Gen, Wei, Yuting, Chi, Yuejie, Gu, Yuantao, Chen, Yuxin

Asynchronous Q-learning aims to learn the optimal action-value function (or Q-function) of a Markov decision process (MDP), based on a single trajectory of Markovian samples induced by a behavior policy. Focusing on a $\gamma$-discounted MDP with state space S and action space A, we demonstrate that the ${\ell }_{\infty }$-based sample complexity of classical asynchronous Q-learning --- namely, the number of samples needed to yield an entrywise $ϵ$-accurate estimate of the Q-function --- is at most on the order of $\frac{1}{{\mu }_{\min }(1-\gamma {)}^5{ϵ}^2}+\frac{t_{\mathsf{mix}}}{{\mu }_{\min }(1-\gamma )}$ up to some logarithmic factor, provided that a proper constant learning rate is adopted. Here, $t_{\mathsf{mix}}$ and ${\mu }_{\min }$ denote respectively the mixing time and the minimum state-action occupancy probability of the sample trajectory. The first term of this bound matches the complexity in the case with independent samples drawn from the stationary distribution of the trajectory. The second term reflects the expense taken for the empirical distribution of the Markovian trajectory to reach a steady state, which is incurred at the very beginning and becomes amortized as the algorithm runs. Encouragingly, the above bound improves upon the state-of-the-art result by a factor of at least |S||A|. Further, the scaling on the discount complexity can be improved by means of variance reduction.

Nabli, Adel, Carvalho, Margarida

Learning heuristics for combinatorial optimization problems through graph neural networks have recently shown promising results on some classic NP-hard problems. These are single-level optimization problems with only one player. Multilevel combinatorial optimization problems are their generalization, encompassing situations with multiple players taking decisions sequentially. By framing them in a multi-agent reinforcement learning setting, we devise a value-based method to learn to solve multilevel budgeted combinatorial problems involving two players in a zero-sum game over a graph. Our framework is based on a simple curriculum: if an agent knows how to estimate the value of instances with budgets up to $B$, then solving instances with budget $B+1$ can be done in polynomial time regardless of the direction of the optimization by checking the value of every possible afterstate. Thus, in a bottom-up approach, we generate datasets of heuristically solved instances with increasingly larger budgets to train our agent. We report results close to optimality on graphs up to $100$ nodes and a $185\times$ speedup on average compared to the quickest exact solver known for the Multilevel Critical Node problem, a max-min-max trilevel problem that has been shown to be at least ${\Sigma }_2^p$-hard.

Yash Akhauri, Mohamed Abdelfattah

Predictor-based methods have substantially enhanced Neural Architecture Search (NAS) optimization. The efficacy of these predictors is largely influenced by the method of encoding neural network architectures. While traditional encodings used an adjacency matrix describing the graph structure of a neural network, novel encodings embrace a variety of approaches from unsupervised pretraining of latent representations to vectors of zero-cost proxies. In this paper, we categorize and investigate neural encodings from three main types: structural, learned, and score-based. Furthermore, we extend these encodings and introduce *unified encodings*, that extend NAS predictors to multiple search spaces. Our analysis draws from experiments conducted on over 1.5 million neural network architectures on NAS spaces such as NASBench-101 (NB101), NB201, NB301, Network Design Spaces (NDS), and TransNASBench-101. Building on our study, we present our predictor **FLAN**: **Fl**ow **A**ttention for **N**AS. FLAN integrates critical insights on predictor design, transfer learning, and *unified encodings* to enable more than an order of magnitude cost reduction for training NAS accuracy predictors. Our implementation and encodings for all neural networks are open-sourced at https://github.com/abdelfattah-lab/flan_nas.

Sontag, David, Jaakkola, Tommi

We give a new class of outer bounds on the marginal polytope, and propose a cutting-plane algorithm for efficiently optimizing over these constraints. When combined with a concave upper bound on the entropy, this gives a new variational inference algorithm for probabilistic inference in discrete Markov Random Fields (MRFs). Valid constraints on the marginal polytope are derived through a series of projections onto the cut polytope. As a result, we obtain tighter upper bounds on the log-partition function. We also show empirically that the approximations of the marginals are significantly more accurate when using the tighter outer bounds. Finally, we demonstrate the advantage of the new constraints for finding the MAP assignment in protein structure prediction.

Claudio Gentile, Shuai Li, Purushottam Kar, Alexandros Karatzoglou, Giovanni Zappella, Evans Etrue

We investigate a novel cluster-of-bandit algorithm CAB for collaborative recommendation tasks that implements the underlying feedback sharing mechanism by estimating user neighborhoods in a context-dependent manner. CAB makes sharp departures from the state of the art by incorporating collaborative effects into inference, as well as learning processes in a manner that seamlessly interleaves explore-exploit tradeoffs and collaborative steps. We prove regret bounds for CAB under various data-dependent assumptions which exhibit a crisp dependence on the expected number of clusters over the users, a natural measure of the statistical difficulty of the learning task. Experiments on production and real-world datasets show that CAB offers significantly increased prediction performance against a representative pool of state-of-the-art methods.

Mo, Yichuan, Wang, Yuji, Wei, Zeming, Wang, Yisen

While Large Language Models (LLMs) have achieved tremendous success in various applications, they are also susceptible to jailbreaking attacks. Several primary defense strategies have been proposed to protect LLMs from producing harmful information, mostly focusing on model fine-tuning or heuristical defense designs. However, how to achieve intrinsic robustness through prompt optimization remains an open problem. In this paper, motivated by adversarial training paradigms for achieving reliable robustness, we propose an approach named Prompt Adversarial Tuning (PAT) that trains a prompt control attached to the user prompt as a guard prefix. To achieve our defense goal whilst maintaining natural performance, we optimize the control prompt with both adversarial and benign prompts. Comprehensive experiments show that our method is effective against both grey-box and black-box attacks, reducing the success rate of advanced attacks to nearly 0, while maintaining the model's utility on the benign task and incurring only negligible computational overhead, charting a new perspective for future explorations in LLM security. Our code is available at https://github.com/PKU-ML/PAT.

Ardakani, Arash, Ardakani, Amir, Gross, Warren

A finite-state machine (FSM) is a computation model to process binary strings in sequential circuits. Hence, a single-input linear FSM is conventionally used to implement complex single-input functions , such as tanh and exponentiation functions, in stochastic computing (SC) domain where continuous values are represented by sequences of random bits. In this paper, we introduce a method that can train a multi-layer FSM-based network where FSMs are connected to every FSM in the previous and the next layer. We show that the proposed FSM-based network can synthesize multi-input complex functions such as 2D Gabor filters and can perform non-sequential tasks such as image classifications on stochastic streams with no multiplication since FSMs are implemented by look-up tables only. Inspired by the capability of FSMs in processing binary streams, we then propose an FSM-based model that can process time series data when performing temporal tasks such as character-level language modeling. Unlike long short-term memories (LSTMs) that unroll the network for each input time step and perform back-propagation on the unrolled network, our FSM-based model requires to backpropagate gradients only for the current input time step while it is still capable of learning long-term dependencies. Therefore, our FSM-based model can learn extremely long-term dependencies as it requires 1/l memory storage during training compared to LSTMs, where l is the number of time steps. Moreover, our FSM-based model reduces the power consumption of training on a GPU by 33% compared to an LSTM model of the same size.

Adam Stein, Aaditya Naik, Yinjun Wu, Mayur Naik, Eric Wong

Concept-based interpretability methods offer a lens into the internals of foundation models by decomposing their embeddings into high-level concepts. These concept representations are most useful when they are *compositional*, meaning that the individual concepts compose to explain the full sample. We show that existing unsupervised concept extraction methods find concepts which are not compositional. To automatically discover compositional concept representations, we identify two salient properties of such representations, and propose Compositional Concept Extraction (CCE) for finding concepts which obey these properties. We evaluate CCE on five different datasets over image and text data. Our evaluation shows that CCE finds more compositional concept representations than baselines and yields better accuracy on four downstream classification tasks.

Ganesh, Arun, Talwar, Kunal

Various differentially private algorithms instantiate the exponential mechanism, and require sampling from the distribution $\exp (-f)$ for a suitable function $f$. When the domain of the distribution is high-dimensional, this sampling can be challenging. Using heuristic sampling schemes such as Gibbs sampling does not necessarily lead to provable privacy. When $f$ is convex, techniques from log-concave sampling lead to polynomial-time algorithms, albeit with large polynomials. Langevin dynamics-based algorithms offer much faster alternatives under some distance measures such as statistical distance. In this work, we establish rapid convergence for these algorithms under distance measures more suitable for differential privacy. For smooth, strongly-convex $f$, we give the first results proving convergence in R\'enyi divergence. This gives us fast differentially private algorithms for such $f$. Our techniques and simple and generic and apply also to underdamped Langevin dynamics.

Zhou, Ding, Wei, Xue-Xin

The ability to record activities from hundreds of neurons simultaneously in the brain has placed an increasing demand for developing appropriate statistical techniques to analyze such data. Recently, deep generative models have been proposed to fit neural population responses. While these methods are flexible and expressive, the downside is that they can be difficult to interpret and identify. To address this problem, we propose a method that integrates key ingredients from latent models and traditional neural encoding models. Our method, pi-VAE, is inspired by recent progress on identifiable variational auto-encoder, which we adapt to make appropriate for neuroscience applications. Specifically, we propose to construct latent variable models of neural activity while simultaneously modeling the relation between the latent and task variables (non-neural variables, e.g. sensory, motor, and other externally observable states). The incorporation of task variables results in models that are not only more constrained, but also show qualitative improvements in interpretability and identifiability. We validate pi-VAE using synthetic data, and apply it to analyze neurophysiological datasets from rat hippocampus and macaque motor cortex. We demonstrate that pi-VAE not only fits the data better, but also provides unexpected novel insights into the structure of the neural codes.

Jiaming Song, Qinsheng Zhang, Hongxu Yin, Morteza Mardani, Ming-Yu Liu, Jan Kautz, Yongxin Chen, Arash Vahdat

We consider guiding denoising diffusion models with general differentiable loss functions in a plug-and-play fashion, enabling controllable generation without additional training. This paradigm, termed Loss-Guided Diffusion (LGD), can easily be integrated into all diffusion models and leverage various efficient samplers. Despite the benefits, the resulting guidance term is, unfortunately, an intractable integral and needs to be approximated. Existing methods compute the guidance term based on a point estimate. However, we show that such approaches have significant errors over the scale of the approximations. To address this issue, we propose a Monte Carlo method that uses multiple samples from a suitable distribution to reduce bias. Our method is effective in various synthetic and real-world settings, including image super-resolution, text or label-conditional image generation, and controllable motion synthesis. Notably, we show how our method can be applied to control a pretrained motion diffusion model to follow certain paths and avoid obstacles that are proven challenging to prior methods.

Li-Ping Liu, David M. Blei

Word embeddings are a widely-used tool to analyze language, and exponential family embeddings (Rudolph et al., 2016) generalize the technique to other types of data. One challenge to fitting embedding methods is sparse data, such as a document/term matrix that contains many zeros. To address this issue, practitioners typically downweight or subsample the zeros, thus focusing learning on the non-zero entries. In this paper, we develop zero-inflated embeddings, a new embedding method that is designed to learn from sparse observations. In a zero-inflated embedding (ZIE), a zero in the data can come from an interaction to other data (i.e., an embedding) or from a separate process by which many observations are equal to zero (i.e. a probability mass at zero). Fitting a ZIE naturally downweights the zeros and dampens their influence on the model. Across many types of data—language, movie ratings, shopping histories, and bird watching logs—we found that zero-inflated embeddings provide improved predictive performance over standard approaches and find better vector representation of items.

Palak Jain, Sofya Raskhodnikova, Satchit Sivakumar, Adam Smith

We study the accuracy of differentially private mechanisms in the continual release model. A continual release mechanism receives a sensitive dataset as a stream of $T$ inputs and produces, after receiving each input, an output that is accurate for all the inputs received so far. We provide the first strong lower bounds on the error of continual release mechanisms. In particular, for two fundamental problems that are closely related to empirical risk minimization and widely studied and used in the standard (batch) model, we prove that the worst case error of every continual release algorithm is $\tilde{\Omega }(T^{1/3})$ times larger than that of the best batch algorithm. Previous work shows only a $\Omega (\log T)$ gap between the worst case error achievable in these two models. We also formulate a model that allows for adaptively selected inputs, thus capturing dependencies that arise in many applications of continual release. Even though, in general, both privacy and accuracy are harder to attain in this model, we show that our lower bounds are matched by the error of simple algorithms that work even for adaptively selected inputs.

Yao, Yu, Liu, Tongliang, Han, Bo, Gong, Mingming, Deng, Jiankang, Niu, Gang, Sugiyama, Masashi

The transition matrix, denoting the transition relationship from clean labels to noisy labels, is essential to build statistically consistent classifiers in label-noise learning. Existing methods for estimating the transition matrix rely heavily on estimating the noisy class posterior. However, the estimation error for noisy class posterior could be large because of the randomness of label noise. The estimation error would lead the transition matrix to be poorly estimated. Therefore in this paper, we aim to solve this problem by exploiting the divide-and-conquer paradigm. Specifically, we introduce an intermediate class to avoid directly estimating the noisy class posterior. By this intermediate class, the original transition matrix can then be factorized into the product of two easy-to-estimated transition matrices. We term the proposed method as the dual $T$-estimator. Both theoretical analyses and empirical results illustrate the effectiveness of the dual $T$-estimator for estimating transition matrices, leading to better classification performances.

Golkar, Siavash, Lipshutz, David, Bahroun, Yanis, Sengupta, Anirvan, Chklovskii, Dmitri

To guide behavior, the brain extracts relevant features from high-dimensional data streamed by sensory organs. Neuroscience experiments demonstrate that the processing of sensory inputs by cortical neurons is modulated by instructive signals which provide context and task-relevant information. Here, adopting a normative approach, we model these instructive signals as supervisory inputs guiding the projection of the feedforward data. Mathematically, we start with a family of Reduced-Rank Regression (RRR) objective functions which include Reduced Rank (minimum) Mean Square Error (RRMSE) and Canonical Correlation Analysis (CCA), and derive novel offline and online optimization algorithms, which we call Bio-RRR. The online algorithms can be implemented by neural networks whose synaptic learning rules resemble calcium plateau potential dependent plasticity observed in the cortex. We detail how, in our model, the calcium plateau potential can be interpreted as a backpropagating error signal. We demonstrate that, despite relying exclusively on biologically plausible local learning rules, our algorithms perform competitively with existing implementations of RRMSE and CCA.

Pogodin, Roman, Latham, Peter

The state-of-the art machine learning approach to training deep neural networks, backpropagation, is implausible for real neural networks: neurons need to know their outgoing weights; training alternates between a bottom-up forward pass (computation) and a top-down backward pass (learning); and the algorithm often needs precise labels of many data points. Biologically plausible approximations to backpropagation, such as feedback alignment, solve the weight transport problem, but not the other two. Thus, fully biologically plausible learning rules have so far remained elusive. Here we present a family of learning rules that does not suffer from any of these problems. It is motivated by the information bottleneck principle (extended with kernel methods), in which networks learn to compress the input as much as possible without sacrificing prediction of the output. The resulting rules have a 3-factor Hebbian structure: they require pre- and post-synaptic firing rates and an error signal - the third factor - consisting of a global teaching signal and a layer-specific term, both available without a top-down pass. They do not require precise labels; instead, they rely on the similarity between pairs of desired outputs. Moreover, to obtain good performance on hard problems and retain biological plausibility, our rules need divisive normalization - a known feature of biological networks. Finally, simulations show that our rules perform nearly as well as backpropagation on image classification tasks.

Andy Zhou, Kai Yan, Michal Shlapentokh-Rothman, Haohan Wang, Yu-Xiong Wang

While language models (LMs) have shown potential across a range of decision-making tasks, their reliance on simple acting processes limits their broad deployment as autonomous agents. In this paper, we introduce Language Agent Tree Search (LATS) -- the first general framework that synergizes the capabilities of LMs in reasoning, acting, and planning. By leveraging the in-context learning ability of LMs, we integrate Monte Carlo Tree Search into LATS to enable LMs as agents, along with LM-powered value functions and self-reflections for proficient exploration and enhanced decision-making. A key feature of our approach is the incorporation of an environment for external feedback, which offers a more deliberate and adaptive problem-solving mechanism that surpasses the constraints of existing techniques. Our experimental evaluation across diverse domains, including programming, interactive question-answering (QA), web navigation, and math, validates the effectiveness and generality of LATS in decision-making while maintaining competitive or improved reasoning performance. Notably, LATS achieves state-of-the-art pass@1 accuracy (92.7%) for programming on HumanEval with GPT-4 and demonstrates gradient-free performance (average score of 75.9) comparable to gradient-based fine-tuning for web navigation on WebShop with GPT-3.5. Code can be found at https://github.com/lapisrocks/LanguageAgentTreeSearch

Mirzadeh, Seyed Iman, Farajtabar, Mehrdad, Pascanu, Razvan, Ghasemzadeh, Hassan

Catastrophic forgetting affects the training of neural networks, limiting their ability to learn multiple tasks sequentially. From the perspective of the well established plasticity-stability dilemma, neural networks tend to be overly plastic, lacking the stability necessary to prevent the forgetting of previous knowledge, which means that as learning progresses, networks tend to forget previously seen tasks. This phenomenon coined in the continual learning literature, has attracted much attention lately, and several families of approaches have been proposed with different degrees of success. However, there has been limited prior work extensively analyzing the impact that different training regimes -- learning rate, batch size, regularization method-- can have on forgetting. In this work, we depart from the typical approach of altering the learning algorithm to improve stability. Instead, we hypothesize that the geometrical properties of the local minima found for each task play an important role in the overall degree of forgetting. In particular, we study the effect of dropout, learning rate decay, and batch size on forming training regimes that widen the tasks' local minima and consequently, on helping it not to forget catastrophically. Our study provides practical insights to improve stability via simple yet effective techniques that outperform alternative baselines.

Chzhen, Evgenii, Denis, Christophe, Hebiri, Mohamed, Oneto, Luca, Pontil, Massimiliano

We study the problem of learning a real-valued function that satisfies the Demographic Parity constraint. It demands the distribution of the predicted output to be independent of the sensitive attribute. We consider the case that the sensitive attribute is available for prediction. We establish a connection between fair regression and optimal transport theory, based on which we derive a close form expression for the optimal fair predictor. Specifically, we show that the distribution of this optimum is the Wasserstein barycenter of the distributions induced by the standard regression function on the sensitive groups. This result offers an intuitive interpretation of the optimal fair prediction and suggests a simple post-processing algorithm to achieve fairness. We establish risk and distribution-free fairness guarantees for this procedure. Numerical experiments indicate that our method is very effective in learning fair models, with a relative increase in error rate that is inferior to the relative gain in fairness.

Chen, Tianlong, Zhang, Weiyi, Jingyang, Zhou, Chang, Shiyu, Liu, Sijia, Amini, Lisa, Wang, Zhangyang

Learning to optimize (L2O) is gaining increased attention because classical optimizers require laborious, problem-specific design and hyperparameter tuning. However, there are significant performance and practicality gaps between manually designed optimizers and existing L2O models. Specifically, learned optimizers are applicable to only a limited class of problems, often exhibit instability, and generalize poorly. As research efforts focus on increasingly sophisticated L2O models, we argue for an orthogonal, under-explored theme: improved training techniques for L2O models. We first present a progressive, curriculum-based training scheme, which gradually increases the optimizer unroll length to mitigate the well-known L2O dilemma of truncation bias (shorter unrolling) versus gradient explosion (longer unrolling). Secondly, we present an off-policy imitation learning based approach to guide the L2O learning, by learning from the behavior of analytical optimizers. We evaluate our improved training techniques with a variety of state-of-the-art L2O models and immediately boost their performance, without making any change to their model structures. We demonstrate that, using our improved training techniques, one of the earliest and simplest L2O models can be trained to outperform even the latest and most complex L2O models on a number of tasks. Our results demonstrate a greater potential of L2O yet to be unleashed, and prompt a reconsideration of recent L2O model progress. Our codes are publicly available at: https://github.com/VITA-Group/L2O-Training-Techniques.

Jarrett, Daniel, Bica, Ioana, van der Schaar, Mihaela

Consider learning a policy purely on the basis of demonstrated behavior---that is, with no access to reinforcement signals, no knowledge of transition dynamics, and no further interaction with the environment. This strictly batch imitation learning problem arises wherever live experimentation is costly, such as in healthcare. One solution is simply to retrofit existing algorithms for apprenticeship learning to work in the offline setting. But such an approach leans heavily on off-policy evaluation or offline model estimation, and can be indirect and inefficient. We argue that a good solution should be able to explicitly parameterize a policy (i.e. respecting action conditionals), implicitly learn from rollout dynamics (i.e. leveraging state marginals), and---crucially---operate in an entirely offline fashion. To address this challenge, we propose a novel technique by energy-based distribution matching (EDM): By identifying parameterizations of the (discriminative) model of a policy with the (generative) energy function for state distributions, EDM yields a simple but effective solution that equivalently minimizes a divergence between the occupancy measure for the demonstrator and a model thereof for the imitator. Through experiments with application to control and healthcare settings, we illustrate consistent performance gains over existing algorithms for strictly batch imitation learning.

He, Ye, Balasubramanian, Krishnakumar, Erdogdu, Murat A.

The randomized midpoint method, proposed by (Shen and Lee, 2019), has emerged as an optimal discretization procedure for simulating the continuous time underdamped Langevin diffusion. In this paper, we analyze several probabilistic properties of the randomized midpoint discretization method, considering both overdamped and underdamped Langevin dynamics. We first characterize the stationary distribution of the discrete chain obtained with constant step-size discretization and show that it is biased away from the target distribution. Notably, the step-size needs to go to zero to obtain asymptotic unbiasedness. Next, we establish the asymptotic normality of numerical integration using the randomized midpoint method and highlight the relative advantages and disadvantages over other discretizations. Our results collectively provide several insights into the behavior of the randomized midpoint discretization method, including obtaining confidence intervals for numerical integrations.

Weitang Liu, Yi-Zhuang You, Ying Wai Li, Jingbo Shang

The output distribution of a neural network (NN) over the entire input space captures the complete input-output mapping relationship, offering in- sights toward a more comprehensive NN under- standing. Exhaustive enumeration or traditional Monte Carlo methods for the entire input space can exhibit impractical sampling time, especially for high-dimensional inputs. To make such difficult sampling computationally feasible, in this paper, we propose a novel Gradient-based Wang-Landau (GWL) sampler. We first draw the connection between the output distribution of a NN and the density of states (DOS) of a physical system. Then, we renovate the classic sampler for the DOS problem, Wang-Landau algorithm, by re-placing its random proposals with gradient-based Monte Carlo proposals. This way, our GWL sampler investigates the under-explored subsets of the input space much more efficiently. Extensive experiments have verified the accuracy of the output distribution generated by GWL and also showcased several interesting findings - for example, in a binary image classification task, both CNN and ResNet mapped the majority of human unrecognizable images to very negative logit values.

Missura, Olana, Gärtner, Thomas

Motivated by applications in electronic games as well as teaching systems, we investigate the problem of dynamic difficulty adjustment. The task here is to repeatedly find a game difficulty setting that is neither `too easy' and bores the player, nor `too difficult' and overburdens the player. The contributions of this paper are ($i$) formulation of difficulty adjustment as an online learning problem on partially ordered sets, ($ii$) an exponential update algorithm for dynamic difficulty adjustment, ($iii$) a bound on the number of wrong difficulty settings relative to the best static setting chosen in hindsight, and ($iv$) an empirical investigation of the algorithm when playing against adversaries.

Zhang, Jiawei, Xiao, Peijun, Sun, Ruoyu, Luo, Zhiquan

Nonconvex-concave min-max problem arises in many machine learning applications including minimizing a pointwise maximum of a set of nonconvex functions and robust adversarial training of neural networks. A popular approach to solve this problem is the gradient descent-ascent (GDA) algorithm which unfortunately can exhibit oscillation in case of nonconvexity. In this paper, we introduce a ``smoothing" scheme which can be combined with GDA to stabilize the oscillation and ensure convergence to a stationary solution. We prove that the stabilized GDA algorithm can achieve an $O(1/{ϵ}^2)$ iteration complexity for minimizing the pointwise maximum of a finite collection of nonconvex functions. Moreover, the smoothed GDA algorithm achieves an $O(1/{ϵ}^4)$ iteration complexity for general nonconvex-concave problems. Extensions of this stabilized GDA algorithm to multi-block cases are presented. To the best of our knowledge, this is the first algorithm to achieve $O(1/{ϵ}^2)$ for a class of nonconvex-concave problem. We illustrate the practical efficiency of the stabilized GDA algorithm on robust training.

Pekar, Niv, Benny, Yaniv, Wolf, Lior

Raven’s Progressive Matrices are multiple-choice intelligence tests, where one tries to complete the missing location in a 3x3 grid of abstract images. Previous attempts to address this test have focused solely on selecting the right answer out of the multiple choices. In this work, we focus, instead, on generating a correct answer given the grid, which is a harder task, by definition. The proposed neural model combines multiple advances in generative models, including employing multiple pathways through the same network, using the reparameterization trick along two pathways to make their encoding compatible, a selective application of variational losses, and a complex perceptual loss that is coupled with a selective backpropagation procedure. Our algorithm is able not only to generate a set of plausible answers but also to be competitive to the state of the art methods in multiple-choice tests.

Bhatia, Kush, Pananjady, Ashwin, Bartlett, Peter, Dragan, Anca, Wainwright, Martin J.

The literature on ranking from ordinal data is vast, and there are several ways to aggregate overall preferences from pairwise comparisons between objects. In particular, it is well-known that any Nash equilibrium of the zero-sum game induced by the preference matrix defines a natural solution concept (winning distribution over objects) known as a von Neumann winner. Many real-world problems, however, are inevitably multi-criteria, with different pairwise preferences governing the different criteria. In this work, we generalize the notion of a von Neumann winner to the multi-criteria setting by taking inspiration from Blackwell’s approachability. Our framework allows for non-linear aggregation of preferences across criteria, and generalizes the linearization-based approach from multi-objective optimization. From a theoretical standpoint, we show that the Blackwell winner of a multi-criteria problem instance can be computed as the solution to a convex optimization problem. Furthermore, given random samples of pairwise comparisons, we show that a simple, "plug-in" estimator achieves (near-)optimal minimax sample complexity. Finally, we showcase the practical utility of our framework in a user study on autonomous driving, where we find that the Blackwell winner outperforms the von Neumann winner for the overall preferences.

Gharaee, Zahra, Lowe, Scott C., Gong, ZeMing, Millan Arias, Pablo, Pellegrino, Nicholas, Wang, Austin T., Haurum, Joakim Bruslund, Eyriay, Iuliia, Kari, Lila, Steinke, Dirk, Taylor, Graham W., Fieguth, Paul, Chang, Angel

As part of an ongoing worldwide effort to comprehend and monitor insect biodiversity, this paper presents the BIOSCAN-5M Insect dataset to the machine learning community and establish several benchmark tasks. BIOSCAN-5M is a comprehensive dataset containing multi-modal information for over 5 million insect specimens, and it significantly expands existing image-based biological datasets by including taxonomic labels, raw nucleotide barcode sequences, assigned barcode index numbers, geographical, and size information. We propose three benchmark experiments to demonstrate the impact of the multi-modal data types on the classification and clustering accuracy. First, we pretrain a masked language model on the DNA barcode sequences of the BIOSCAN-5M dataset, and demonstrate the impact of using this large reference library on species- and genus-level classification performance. Second, we propose a zero-shot transfer learning task applied to images and DNA barcodes to cluster feature embeddings obtained from self-supervised learning, to investigate whether meaningful clusters can be derived from these representation embeddings. Third, we benchmark multi-modality by performing contrastive learning on DNA barcodes, image data, and taxonomic information. This yields a general shared embedding space enabling taxonomic classification using multiple types of information and modalities. The code repository of the BIOSCAN-5M Insect dataset is available at https://github.com/bioscan-ml/BIOSCAN-5M.

Li, Yikai, Mao, Jiayuan, Zhang, Xiuming, Freeman, Bill, Tenenbaum, Josh, Snavely, Noah, Wu, Jiajun

We consider two important aspects in understanding and editing images: modeling regular, program-like texture or patterns in 2D planes, and 3D posing of these planes in the scene. Unlike prior work on image-based program synthesis, which assumes the image contains a single visible 2D plane, we present Box Program Induction (BPI), which infers a program-like scene representation that simultaneously models repeated structure on multiple 2D planes, the 3D position and orientation of the planes, and camera parameters, all from a single image. Our model assumes a box prior, i.e., that the image captures either an inner view or an outer view of a box in 3D. It uses neural networks to infer visual cues such as vanishing points, wireframe lines to guide a search-based algorithm to find the program that best explains the image. Such a holistic, structured scene representation enables 3D-aware interactive image editing operations such as inpainting missing pixels, changing camera parameters, and extrapolate the image contents.

Hosseini, Hadi, Roy, Sanjukta, Zhang, Duohan

Two-sided matching markets describe a large class of problems wherein participants from one side of the market must be matched to those from the other side according to their preferences. In many real-world applications (e.g. content matching or online labor markets), the knowledge about preferences may not be readily available and must be learned, i.e., one side of the market (aka agents) may not know their preferences over the other side (aka arms). Recent research on online settings has focused primarily on welfare optimization aspects (i.e. minimizing the overall regret) while paying little attention to the game-theoretic properties such as the stability of the final matching. In this paper, we exploit the structure of stable solutions to devise algorithms that improve the likelihood of finding stable solutions. We initiate the study of the sample complexity of finding a stable matching, and provide theoretical bounds on the number of samples needed to reach a stable matching with high probability. Finally, our empirical results demonstrate intriguing tradeoffs between stability and optimality of the proposed algorithms, further complementing our theoretical findings.

Tongliang Liu, Gábor Lugosi, Gergely Neu, Dacheng Tao

We introduce a notion of algorithmic stability of learning algorithms—that we term

Lesi Chen, Jing Xu, Luo Luo

We consider the optimization problem of the form ${\min }_{x\in {\mathbb{R}}^d}f(x)\triangleq \mathbb{E}[F(x;\xi )]$ , where the component $F(x;\xi )$ is $L$-mean-squared Lipschitz but possibly nonconvex and nonsmooth.The recently proposed gradient-free method requires at most $\mathcal{O}(L^4{d}^{3/2}{ϵ}^{-4}+\Delta L^3{d}^{3/2}{\delta }^{-1}{ϵ}^{-4})$ stochastic zeroth-order oracle complexity to find a $(\delta ,ϵ)$-Goldstein stationary point of objective function, where $\Delta =f(x_0)-{\inf }_{x\in {\mathbb{R}}^d}f(x)$ and $x_0$ is the initial point of the algorithm. This paper proposes a more efficient algorithm using stochastic recursive gradient estimators, which improves the complexity to $\mathcal{O}(L^3{d}^{3/2}{ϵ}^{-3}+\Delta L^2{d}^{3/2}{\delta }^{-1}{ϵ}^{-3})$.

Bo Dai, Ruiqi Guo, Sanjiv Kumar, Niao He, Le Song

Learning-based binary hashing has become a powerful paradigm for fast search and retrieval in massive databases. However, due to the requirement of discrete outputs for the hash functions, learning such functions is known to be very challenging. In addition, the objective functions adopted by existing hashing techniques are mostly chosen heuristically. In this paper, we propose a novel generative approach to learn hash functions through Minimum Description Length principle such that the learned hash codes maximally compress the dataset and can also be used to regenerate the inputs. We also develop an efficient learning algorithm based on the stochastic distributional gradient, which avoids the notorious difficulty caused by binary output constraints, to jointly optimize the parameters of the hash function and the associated generative model. Extensive experiments on a variety of large-scale datasets show that the proposed method achieves better retrieval results than the existing state-of-the-art methods.

Yong Cheng, Wei Wang, Lu Jiang, Wolfgang Macherey

Self-supervised pre-training of text representations has been successfully applied to low-resource Neural Machine Translation (NMT). However, it usually fails to achieve notable gains on resource-rich NMT. In this paper, we propose a joint training approach, F2-XEnDec, to combine self-supervised and supervised learning to optimize NMT models. To exploit complementary self-supervised signals for supervised learning, NMT models are trained on examples that are interbred from monolingual and parallel sentences through a new process called crossover encoder-decoder. Experiments on two resource-rich translation benchmarks, WMT'14 English-German and WMT'14 English-French, demonstrate that our approach achieves substantial improvements over several strong baseline methods and obtains a new state of the art of 46.19 BLEU on English-French when incorporating back translation. Results also show that our approach is capable of improving model robustness to input perturbations such as code-switching noise which frequently appears on the social media.

Sitzmann, Vincent, Martel, Julien, Bergman, Alexander, Lindell, David, Wetzstein, Gordon

Implicitly defined, continuous, differentiable signal representations parameterized by neural networks have emerged as a powerful paradigm, offering many possible benefits over conventional representations. However, current network architectures for such implicit neural representations are incapable of modeling signals with fine detail, and fail to represent a signal's spatial and temporal derivatives, despite the fact that these are essential to many physical signals defined implicitly as the solution to partial differential equations. We propose to leverage periodic activation functions for implicit neural representations and demonstrate that these networks, dubbed sinusoidal representation networks or SIRENs, are ideally suited for representing complex natural signals and their derivatives. We analyze SIREN activation statistics to propose a principled initialization scheme and demonstrate the representation of images, wavefields, video, sound, and their derivatives. Further, we show how SIRENs can be leveraged to solve challenging boundary value problems, such as particular Eikonal equations (yielding signed distance functions), the Poisson equation, and the Helmholtz and wave equations. Lastly, we combine SIRENs with hypernetworks to learn priors over the space of SIREN functions.

Raskutti, Garvesh, Yu, Bin, Wainwright, Martin J., Ravikumar, Pradeep

We consider the problem of estimating the graph structure associated with a Gaussian Markov random field (GMRF) from i.i.d. samples. We study the performance of study the performance of the 1 -regularized maximum likelihood estimator in the high-dimensional setting, where the number of nodes in the graph p, the number of edges in the graph s and the maximum node degree d, are allowed to grow as a function of the number of samples n. Our main result provides sufficient conditions on (n, p, d) for the 1 -regularized MLE estimator to recover all the edges of the graph with high probability. Under some conditions on the model covariance, we show that model selection can be achieved for sample sizes n = (d2 log(p)), with the error decaying as O(exp(-c log(p))) for some constant c. We illustrate our theoretical results via simulations and show good correspondences between the theoretical predictions and behavior in simulations.

Priyank Jaini, Didrik Nielsen, Max Welling

Hybrid Monte Carlo is a powerful Markov Chain Monte Carlo method for sampling from complex continuous distributions. However, a major limitation of HMC is its inability to be applied to discrete domains due to the lack of gradient signal. In this work, we introduce a new approach based on augmenting monte carlo methods with SurVAE Flow to sample from discrete distributions using a combination of neural transport methods like normalizing flows, variational dequantization, and the Metropolis-Hastings rule. Our method first learns a continuous embedding of the discrete space using a surjective map and subsequently learns a bijective transformation from the continuous space to an approximately Gaussian distributed latent variable. Sampling proceeds by simulating MCMC chains in the latent space and mapping these samples to the target discrete space via the learned transformations. We demonstrate the efficacy of our algorithm on a range of examples from statistics, computational physics, and, machine learning, and observe improvements compared to alternative algorithms.

Sandi, Carmen, Gerstner, Wulfram, Lukšys, Gediminas

Suppose we train an animal in a conditioning experiment. Can one predict how a given animal, under given experimental conditions, would perform the task? Since various factors such as stress, motivation, genetic background, and previous errors in task performance can influence animal behaviour, this appears to be a very challenging aim. Reinforcement learning (RL) models have been successful in modeling animal (and human) behaviour, but their success has been limited because of uncertainty as to how to set meta-parameters (such as learning rate, exploitation-exploration balance and future reward discount factor) that strongly influence model performance. We show that a simple RL model whose metaparameters are controlled by an artificial neural network, fed with inputs such as stress, affective phenotype, previous task performance, and even neuromodulatory manipulations, can successfully predict mouse behaviour in the "hole-box" - a simple conditioning task. Our results also provide important insights on how stress and anxiety affect animal learning, performance accuracy, and discounting of future rewards, and on how noradrenergic systems can interact with these processes.

Cui, Shuhao, Jin, Xuan, Wang, Shuhui, He, Yuan, Huang, Qingming

In visual domain adaptation (DA), separating the domain-specific characteristics from the domain-invariant representations is an ill-posed problem. Existing methods apply different kinds of priors or directly minimize the domain discrepancy to address this problem, which lack flexibility in handling real-world situations. Another research pipeline expresses the domain-specific information as a gradual transferring process, which tends to be suboptimal in accurately removing the domain-specific properties. In this paper, we address the modeling of domain-invariant and domain-specific information from the heuristic search perspective. We identify the characteristics in the existing representations that lead to larger domain discrepancy as the heuristic representations. With the guidance of heuristic representations, we formulate a principled framework of Heuristic Domain Adaptation (HDA) with well-founded theoretical guarantees. To perform HDA, the cosine similarity scores and independence measurements between domain-invariant and domain-specific representations are cast into the constraints at the initial and final states during the learning procedure. Similar to the final condition of heuristic search, we further derive a constraint enforcing the final range of heuristic network output to be small. Accordingly, we propose Heuristic Domain Adaptation Network (HDAN), which explicitly learns the domain-invariant and domain-specific representations with the above mentioned constraints. Extensive experiments show that HDAN has exceeded state-of-the-art on unsupervised DA, multi-source DA and semi-supervised DA. The code is available at https://github.com/cuishuhao/HDA.

Lin, Mingbao, Ji, Rongrong, Xu, Zihan, Zhang, Baochang, Wang, Yan, Wu, Yongjian, Huang, Feiyue, Lin, Chia-Wen

Binary Neural Network (BNN) shows its predominance in reducing the complexity of deep neural networks. However, it suffers severe performance degradation. One of the major impediments is the large quantization error between the full-precision weight vector and its binary vector. Previous works focus on compensating for the norm gap while leaving the angular bias hardly touched. In this paper, for the first time, we explore the influence of angular bias on the quantization error and then introduce a Rotated Binary Neural Network (RBNN), which considers the angle alignment between the full-precision weight vector and its binarized version. At the beginning of each training epoch, we propose to rotate the full-precision weight vector to its binary vector to reduce the angular bias. To avoid the high complexity of learning a large rotation matrix, we further introduce a bi-rotation formulation that learns two smaller rotation matrices. In the training stage, we devise an adjustable rotated weight vector for binarization to escape the potential local optimum. Our rotation leads to around 50% weight flips which maximize the information gain. Finally, we propose a training-aware approximation of the sign function for the gradient backward. Experiments on CIFAR-10 and ImageNet demonstrate the superiorities of RBNN over many state-of-the-arts. Our source code, experimental settings, training logs and binary models are available at https://github.com/lmbxmu/RBNN.

Kamath, Govinda, Baharav, Tavor, Shomorony, Ilan

Pairwise alignment of DNA sequencing data is a ubiquitous task in bioinformatics and typically represents a heavy computational burden. State-of-the-art approaches to speed up this task use hashing to identify short segments (k-mers) that are shared by pairs of reads, which can then be used to estimate alignment scores. However, when the number of reads is large, accurately estimating alignment scores for all pairs is still very costly. Moreover, in practice, one is only interested in identifying pairs of reads with large alignment scores. In this work, we propose a new approach to pairwise alignment estimation based on two key new ingredients. The first ingredient is to cast the problem of pairwise alignment estimation under a general framework of rank-one crowdsourcing models, where the workers' responses correspond to k-mer hash collisions. These models can be accurately solved via a spectral decomposition of the response matrix. The second ingredient is to utilise a multi-armed bandit algorithm to adaptively refine this spectral estimator only for read pairs that are likely to have large alignments. The resulting algorithm iteratively performs a spectral decomposition of the response matrix for adaptively chosen subsets of the read pairs.

Doimo, Diego, Glielmo, Aldo, Ansuini, Alessio, Laio, Alessandro

Deep convolutional networks (DCNs) learn meaningful representations where data that share the same abstract characteristics are positioned closer and closer. Understanding these representations and how they are generated is of unquestioned practical and theoretical interest. In this work we study the evolution of the probability density of the ImageNet dataset across the hidden layers in some state-of-the-art DCNs. We find that the initial layers generate a unimodal probability density getting rid of any structure irrelevant for classification. In subsequent layers density peaks arise in a hierarchical fashion that mirrors the semantic hierarchy of the concepts. Density peaks corresponding to single categories appear only close to the output and via a very sharp transition which resembles the nucleation process of a heterogeneous liquid. This process leaves a footprint in the probability density of the output layer where the topography of the peaks allows reconstructing the semantic relationships of the categories.

François-Pierre Paty, Marco Cuturi

Making sense of Wasserstein distances between discrete measures in high-dimensional settings remains a challenge. Recent work has advocated a two-step approach to improve robustness and facilitate the computation of optimal transport, using for instance projections on random real lines, or a preliminary quantization of the measures to reduce the size of their support. We propose in this work a “max-min” robust variant of the Wasserstein distance by considering the maximal possible distance that can be realized between two measures, assuming they can be projected orthogonally on a lower k-dimensional subspace. Alternatively, we show that the corresponding “min-max” OT problem has a tight convex relaxation which can be cast as that of finding an optimal transport plan with a low transportation cost, where the cost is alternatively defined as the sum of the k largest eigenvalues of the second order moment matrix of the displacements (or matchings) corresponding to that plan (the usual OT definition only considers the trace of that matrix). We show that both quantities inherit several favorable properties from the OT geometry. We propose two algorithms to compute the latter formulation using entropic regularization, and illustrate the interest of this approach empirically.

Zhu, Shichao, Pan, Shirui, Zhou, Chuan, Wu, Jia, Cao, Yanan, Wang, Bin

While numerous approaches have been developed to embed graphs into either Euclidean or hyperbolic spaces, they do not fully utilize the information available in graphs, or lack the flexibility to model intrinsic complex graph geometry. To utilize the strength of both Euclidean and hyperbolic geometries, we develop a novel Geometry Interaction Learning (GIL) method for graphs, a well-suited and efficient alternative for learning abundant geometric properties in graph. GIL captures a more informative internal structural features with low dimensions while maintaining conformal invariance of each space. Furthermore, our method endows each node the freedom to determine the importance of each geometry space via a flexible dual feature interaction learning and probability assembling mechanism. Promising experimental results are presented for five benchmark datasets on node classification and link prediction tasks.

Xia, Xiaobo, Liu, Tongliang, Han, Bo, Wang, Nannan, Gong, Mingming, Liu, Haifeng, Niu, Gang, Tao, Dacheng, Sugiyama, Masashi

Learning with the \textit{instance-dependent} label noise is challenging, because it is hard to model such real-world noise. Note that there are psychological and physiological evidences showing that we humans perceive instances by decomposing them into parts. Annotators are therefore more likely to annotate instances based on the parts rather than the whole instances, where a wrong mapping from parts to classes may cause the instance-dependent label noise. Motivated by this human cognition, in this paper, we approximate the instance-dependent label noise by exploiting \textit{part-dependent} label noise. Specifically, since instances can be approximately reconstructed by a combination of parts, we approximate the instance-dependent \textit{transition matrix} for an instance by a combination of the transition matrices for the parts of the instance. The transition matrices for parts can be learned by exploiting anchor points (i.e., data points that belong to a specific class almost surely). Empirical evaluations on synthetic and real-world datasets demonstrate our method is superior to the state-of-the-art approaches for learning from the instance-dependent label noise.

Bo Liu, Xiao-Tong Yuan, Lezi Wang, Qingshan Liu, Dimitris N. Metaxas

Iterative Hard Thresholding (IHT) is a class of projected gradient descent methods for optimizing sparsity-constrained minimization models, with the best known efficiency and scalability in practice. As far as we know, the existing IHT-style methods are designed for sparse minimization in primal form. It remains open to explore duality theory and algorithms in such a non-convex and NP-hard setting. In this article, we bridge the gap by establishing a duality theory for sparsity-constrained minimization with ${\ell }_2$-regularized objective and proposing an IHT-style algorithm for dual maximization. Our sparse duality theory provides a set of sufficient and necessary conditions under which the original NP-hard/non-convex problem can be equivalently solved in a dual space. The proposed dual IHT algorithm is a super-gradient method for maximizing the non-smooth dual objective. An interesting finding is that the sparse recovery performance of dual IHT is invariant to the Restricted Isometry Property (RIP), which is required by all the existing primal IHT without sparsity relaxation. Moreover, a stochastic variant of dual IHT is proposed for large-scale stochastic optimization. Numerical results demonstrate that dual IHT algorithms can achieve more accurate model estimation given small number of training data and have higher computational efficiency than the state-of-the-art primal IHT-style algorithms.

Itay Lavie, Guy Gur-Ari, Zohar Ringel

We study inductive bias in Transformers in the infinitely over-parameterized Gaussian process limit and argue transformers tend to be biased towards more permutation symmetric functions in sequence space. We show that the representation theory of the symmetric group can be used to give quantitative analytical predictions when the dataset is symmetric to permutations between tokens. We present a simplified transformer block and solve the model at the limit, including accurate predictions for the learning curves and network outputs. We show that in common setups, one can derive tight bounds in the form of a scaling law for the learnability as a function of the context length. Finally, we argue WikiText dataset, does indeed possess a degree of permutation symmetry.

Roi Livni, Daniel Carmon, Amir Globerson

Infinite Layer Networks (ILN) have been proposed as an architecture that mimics neural networks while enjoying some of the advantages of kernel methods. ILN are networks that integrate over infinitely many nodes within a single hidden layer. It has been demonstrated by several authors that the problem of learning ILN can be reduced to the kernel trick, implying that whenever a certain integral can be computed analytically they are efficiently learnable. In this work we give an online algorithm for ILN, which avoids the kernel trick assumption. More generally and of independent interest, we show that kernel methods in general can be exploited even when the kernel cannot be efficiently computed but can only be estimated via sampling. We provide a regret analysis for our algorithm, showing that it matches the sample complexity of methods which have access to kernel values. Thus, our method is the first to demonstrate that the kernel trick is not necessary, as such, and random features suffice to obtain comparable performance.

Wang, Jianyu, Liu, Qinghua, Liang, Hao, Joshi, Gauri, Poor, H. Vincent

In federated learning, heterogeneity in the clients' local datasets and computation speeds results in large variations in the number of local updates performed by each client in each communication round. Naive weighted aggregation of such models causes objective inconsistency, that is, the global model converges to a stationary point of a mismatched objective function which can be arbitrarily different from the true objective. This paper provides a general framework to analyze the convergence of federated heterogeneous optimization algorithms. It subsumes previously proposed methods such as FedAvg and FedProx and provides the first principled understanding of the solution bias and the convergence slowdown due to objective inconsistency. Using insights from this analysis, we propose FedNova, a normalized averaging method that eliminates objective inconsistency while preserving fast error convergence.

Liu, Yanli, Zhang, Kaiqing, Basar, Tamer, Yin, Wotao

In this paper, we revisit and improve the convergence of policy gradient (PG), natural PG (NPG) methods, and their variance-reduced variants, under general smooth policy parametrizations. More specifically, with the Fisher information matrix of the policy being positive definite: i) we show that a state-of-the-art variance-reduced PG method, which has only been shown to converge to stationary points, converges to the globally optimal value up to some inherent function approximation error due to policy parametrization; ii) we show that NPG enjoys a lower sample complexity; iii) we propose SRVR-NPG, which incorporates variance-reduction into the NPG update. Our improvements follow from an observation that the convergence of (variance-reduced) PG and NPG methods can improve each other: the stationary convergence analysis of PG can be applied on NPG as well, and the global convergence analysis of NPG can help to establish the global convergence of (variance-reduced) PG methods. Our analysis carefully integrates the advantages of these two lines of works. Thanks to this improvement, we have also made variance-reduction for NPG possible for the first time, with both global convergence and an efficient finite-sample complexity.