Daniele Calandriello

Shengyang Sun, Daniele Calandriello, Huiyi Hu et al. · deepmind

A challenging problem in task-free continual learning is the online selection of a representative replay memory from data streams. In this work, we investigate the online memory selection problem from an information-theoretic perspective. To gather the most information, we propose the \textit{surprise} and the \textit{learnability} criteria to pick informative points and to avoid outliers. We present a Bayesian model to compute the criteria efficiently by exploiting rank-one matrix structures. We demonstrate that these criteria encourage selecting informative points in a greedy algorithm for online memory selection. Furthermore, by identifying the importance of \textit{the timing to update the memory}, we introduce a stochastic information-theoretic reservoir sampler (InfoRS), which conducts sampling among selective points with high information. Compared to reservoir sampling, InfoRS demonstrates improved robustness against data imbalance. Finally, empirical performances over continual learning benchmarks manifest its efficiency and efficacy.

Mohammad Gheshlaghi Azar, Mark Rowland, Bilal Piot et al.

The prevalent deployment of learning from human preferences through reinforcement learning (RLHF) relies on two important approximations: the first assumes that pairwise preferences can be substituted with pointwise rewards. The second assumes that a reward model trained on these pointwise rewards can generalize from collected data to out-of-distribution data sampled by the policy. Recently, Direct Preference Optimisation (DPO) has been proposed as an approach that bypasses the second approximation and learn directly a policy from collected data without the reward modelling stage. However, this method still heavily relies on the first approximation. In this paper we try to gain a deeper theoretical understanding of these practical algorithms. In particular we derive a new general objective called $Ψ$PO for learning from human preferences that is expressed in terms of pairwise preferences and therefore bypasses both approximations. This new general objective allows us to perform an in-depth analysis of the behavior of RLHF and DPO (as special cases of $Ψ$PO) and to identify their potential pitfalls. We then consider another special case for $Ψ$PO by setting $Ψ$ simply to Identity, for which we can derive an efficient optimisation procedure, prove performance guarantees and demonstrate its empirical superiority to DPO on some illustrative examples.

Zhaohan Daniel Guo, Shantanu Thakoor, Miruna Pîslar et al.

We present BYOL-Explore, a conceptually simple yet general approach for curiosity-driven exploration in visually-complex environments. BYOL-Explore learns a world representation, the world dynamics, and an exploration policy all-together by optimizing a single prediction loss in the latent space with no additional auxiliary objective. We show that BYOL-Explore is effective in DM-HARD-8, a challenging partially-observable continuous-action hard-exploration benchmark with visually-rich 3-D environments. On this benchmark, we solve the majority of the tasks purely through augmenting the extrinsic reward with BYOL-Explore s intrinsic reward, whereas prior work could only get off the ground with human demonstrations. As further evidence of the generality of BYOL-Explore, we show that it achieves superhuman performance on the ten hardest exploration games in Atari while having a much simpler design than other competitive agents.

Yunhao Tang, Zhaohan Daniel Guo, Pierre Harvey Richemond et al.

We study the learning dynamics of self-predictive learning for reinforcement learning, a family of algorithms that learn representations by minimizing the prediction error of their own future latent representations. Despite its recent empirical success, such algorithms have an apparent defect: trivial representations (such as constants) minimize the prediction error, yet it is obviously undesirable to converge to such solutions. Our central insight is that careful designs of the optimization dynamics are critical to learning meaningful representations. We identify that a faster paced optimization of the predictor and semi-gradient updates on the representation, are crucial to preventing the representation collapse. Then in an idealized setup, we show self-predictive learning dynamics carries out spectral decomposition on the state transition matrix, effectively capturing information of the transition dynamics. Building on the theoretical insights, we propose bidirectional self-predictive learning, a novel self-predictive algorithm that learns two representations simultaneously. We examine the robustness of our theoretical insights with a number of small-scale experiments and showcase the promise of the novel representation learning algorithm with large-scale experiments.

Daniil Tiapkin, Denis Belomestny, Daniele Calandriello et al.

We address the challenge of exploration in reinforcement learning (RL) when the agent operates in an unknown environment with sparse or no rewards. In this work, we study the maximum entropy exploration problem of two different types. The first type is visitation entropy maximization previously considered by Hazan et al.(2019) in the discounted setting. For this type of exploration, we propose a game-theoretic algorithm that has $\widetilde{\mathcal{O}}(H^3S^2A/\varepsilon^2)$ sample complexity thus improving the $\varepsilon$-dependence upon existing results, where $S$ is a number of states, $A$ is a number of actions, $H$ is an episode length, and $\varepsilon$ is a desired accuracy. The second type of entropy we study is the trajectory entropy. This objective function is closely related to the entropy-regularized MDPs, and we propose a simple algorithm that has a sample complexity of order $\widetilde{\mathcal{O}}(\mathrm{poly}(S,A,H)/\varepsilon)$. Interestingly, it is the first theoretical result in RL literature that establishes the potential statistical advantage of regularized MDPs for exploration. Finally, we apply developed regularization techniques to reduce sample complexity of visitation entropy maximization to $\widetilde{\mathcal{O}}(H^2SA/\varepsilon^2)$, yielding a statistical separation between maximum entropy exploration and reward-free exploration.

Daniil Tiapkin, Denis Belomestny, Daniele Calandriello et al.

We consider reinforcement learning in an environment modeled by an episodic, finite, stage-dependent Markov decision process of horizon $H$ with $S$ states, and $A$ actions. The performance of an agent is measured by the regret after interacting with the environment for $T$ episodes. We propose an optimistic posterior sampling algorithm for reinforcement learning (OPSRL), a simple variant of posterior sampling that only needs a number of posterior samples logarithmic in $H$, $S$, $A$, and $T$ per state-action pair. For OPSRL we guarantee a high-probability regret bound of order at most $\widetilde{\mathcal{O}}(\sqrt{H^3SAT})$ ignoring $\text{poly}\log(HSAT)$ terms. The key novel technical ingredient is a new sharp anti-concentration inequality for linear forms which may be of independent interest. Specifically, we extend the normal approximation-based lower bound for Beta distributions by Alfers and Dinges [1984] to Dirichlet distributions. Our bound matches the lower bound of order $Ω(\sqrt{H^3SAT})$, thereby answering the open problems raised by Agrawal and Jia [2017b] for the episodic setting.

Wei Xiong, Chengshuai Shi, Jiaming Shen et al.

Recent studies have shown that large language models' (LLMs) mathematical problem-solving capabilities can be enhanced by integrating external tools, such as code interpreters, and employing multi-turn Chain-of-Thought (CoT) reasoning. While current methods focus on synthetic data generation and Supervised Fine-Tuning (SFT), this paper studies the complementary direct preference learning approach to further improve model performance. However, existing direct preference learning algorithms are originally designed for the single-turn chat task, and do not fully address the complexities of multi-turn reasoning and external tool integration required for tool-integrated mathematical reasoning tasks. To fill in this gap, we introduce a multi-turn direct preference learning framework, tailored for this context, that leverages feedback from code interpreters and optimizes trajectory-level preferences. This framework includes multi-turn DPO and multi-turn KTO as specific implementations. The effectiveness of our framework is validated through training of various language models using an augmented prompt set from the GSM8K and MATH datasets. Our results demonstrate substantial improvements: a supervised fine-tuned Gemma-1.1-it-7B model's performance increased from 77.5% to 83.9% on GSM8K and from 46.1% to 51.2% on MATH. Similarly, a Gemma-2-it-9B model improved from 84.1% to 86.3% on GSM8K and from 51.0% to 54.5% on MATH.

Daniele Calandriello, Ioannis Koutis, Alessandro Lazaric et al.

Graph-based techniques and spectral graph theory have enriched the field of machine learning with a variety of critical advances. A central object in the analysis is the graph Laplacian L, which encodes the structure of the graph. We consider the problem of learning over this Laplacian in a distributed streaming setting, where new edges of the graph are observed in real time by a network of workers. In this setting, it is hard to learn quickly or approximately while keeping a distributed representation of L. To address this challenge, we present a novel algorithm, GSQUEAK, which efficiently sparsifies the Laplacian by maintaining a small subset of effective resistances. We show that our algorithm produces sparsifiers with strong spectral approximation guarantees, all while processing edges in a single pass and in a distributed fashion.

Daniele Calandriello, Alessandro Lazaric, Michal Valko

Large-scale kernel ridge regression (KRR) is limited by the need to store a large kernel matrix K_t. To avoid storing the entire matrix K_t, Nystrom methods subsample a subset of columns of the kernel matrix, and efficiently find an approximate KRR solution on the reconstructed matrix. The chosen subsampling distribution in turn affects the statistical and computational tradeoffs. For KRR problems, recent works show that a sampling distribution proportional to the ridge leverage scores (RLSs) provides strong reconstruction guarantees for the approximation. While exact RLSs are as difficult to compute as a KRR solution, we may be able to approximate them well enough. In this paper, we study KRR problems in a sequential setting and introduce the INK-ESTIMATE algorithm, that incrementally computes the RLSs estimates. INK-ESTIMATE maintains a small sketch of K_t, that at each step is used to compute an intermediate estimate of the RLSs. First, our sketch update does not require access to previously seen columns, and therefore a single pass over the kernel matrix is sufficient. Second, the algorithm requires a fixed, small space budget to run dependent only on the effective dimension of the kernel matrix. Finally, our sketch provides strong approximation guarantees on the distance between the true kernel matrix and its approximation, and on the statistical risk of the approximate KRR solution at any time, because all our guarantees hold at any intermediate step.

Daniele Calandriello, Alessandro Lazaric, Michal Valko

One of the major limits of kernel ridge regression (KRR) is that storing and manipulating the kernel matrix K_n for n samples requires O(n^2) space, which rapidly becomes unfeasible for large n. Nystrom approximations reduce the space complexity to O(nm) by sampling m columns from K_n. Uniform sampling preserves KRR accuracy (up to epsilon) only when m is proportional to the maximum degree of freedom of K_n, which may require O(n) columns for datasets with high coherence. Sampling columns according to their ridge leverage scores (RLS) gives accurate Nystrom approximations with m proportional to the effective dimension, but computing exact RLS also requires O(n^2) space. (Calandriello et al. 2016) propose INK-Estimate, an algorithm that processes the dataset incrementally and updates RLS, effective dimension, and Nystrom approximations on-the-fly. Its space complexity scales with the effective dimension but introduces a dependency on the largest eigenvalue of K_n, which in the worst case is O(n). In this paper we introduce SQUEAK, a new algorithm that builds on INK-Estimate but uses unnormalized RLS. As a consequence, the algorithm is simpler, does not need to estimate the effective dimension for normalization, and achieves a space complexity that is only a constant factor worse than exact RLS sampling.

Daniil Tiapkin, Denis Belomestny, Daniele Calandriello et al.

In this paper, we introduce Randomized Q-learning (RandQL), a novel randomized model-free algorithm for regret minimization in episodic Markov Decision Processes (MDPs). To the best of our knowledge, RandQL is the first tractable model-free posterior sampling-based algorithm. We analyze the performance of RandQL in both tabular and non-tabular metric space settings. In tabular MDPs, RandQL achieves a regret bound of order $\widetilde{O}(\sqrt{H^{5}SAT})$, where $H$ is the planning horizon, $S$ is the number of states, $A$ is the number of actions, and $T$ is the number of episodes. For a metric state-action space, RandQL enjoys a regret bound of order $\widetilde{O}(H^{5/2} T^{(d_z+1)/(d_z+2)})$, where $d_z$ denotes the zooming dimension. Notably, RandQL achieves optimistic exploration without using bonuses, relying instead on a novel idea of learning rate randomization. Our empirical study shows that RandQL outperforms existing approaches on baseline exploration environments.

Daniil Tiapkin, Denis Belomestny, Daniele Calandriello et al.

Incorporating expert demonstrations has empirically helped to improve the sample efficiency of reinforcement learning (RL). This paper quantifies theoretically to what extent this extra information reduces RL's sample complexity. In particular, we study the demonstration-regularized reinforcement learning that leverages the expert demonstrations by KL-regularization for a policy learned by behavior cloning. Our findings reveal that using $N^{\mathrm{E}}$ expert demonstrations enables the identification of an optimal policy at a sample complexity of order $\widetilde{O}(\mathrm{Poly}(S,A,H)/(\varepsilon^2 N^{\mathrm{E}}))$ in finite and $\widetilde{O}(\mathrm{Poly}(d,H)/(\varepsilon^2 N^{\mathrm{E}}))$ in linear Markov decision processes, where $\varepsilon$ is the target precision, $H$ the horizon, $A$ the number of action, $S$ the number of states in the finite case and $d$ the dimension of the feature space in the linear case. As a by-product, we provide tight convergence guarantees for the behaviour cloning procedure under general assumptions on the policy classes. Additionally, we establish that demonstration-regularized methods are provably efficient for reinforcement learning from human feedback (RLHF). In this respect, we provide theoretical evidence showing the benefits of KL-regularization for RLHF in tabular and linear MDPs. Interestingly, we avoid pessimism injection by employing computationally feasible regularization to handle reward estimation uncertainty, thus setting our approach apart from the prior works.

Daniil Tiapkin, Daniele Calandriello, Denis Belomestny et al.

Traditional Reinforcement Learning from Human Feedback (RLHF) often relies on reward models, frequently assuming preference structures like the Bradley--Terry model, which may not accurately capture the complexities of real human preferences (e.g., intransitivity). Nash Learning from Human Feedback (NLHF) offers a more direct alternative by framing the problem as finding a Nash equilibrium of a game defined by these preferences. While many works study the Nash learning problem directly in the policy space, we instead consider it under a more realistic policy parametrization setting. We first analyze a simple self-play policy gradient method, which is equivalent to Online IPO. We establish high-probability last-iterate convergence guarantees for this method, but our analysis also reveals a possible stability limitation of the underlying dynamics. Motivated by this, we embed the self-play updates into a proximal point framework, yielding a stabilized algorithm. For this combined method, we prove high-probability last-iterate convergence and discuss its more practical version, which we call Nash Prox. Finally, we apply this method to post-training of large language models and validate its empirical performance.

Gheorghe Comanici, Eric Bieber, Mike Schaekermann et al. · amazon-science, baidu

In this report, we introduce the Gemini 2.X model family: Gemini 2.5 Pro and Gemini 2.5 Flash, as well as our earlier Gemini 2.0 Flash and Flash-Lite models. Gemini 2.5 Pro is our most capable model yet, achieving SoTA performance on frontier coding and reasoning benchmarks. In addition to its incredible coding and reasoning skills, Gemini 2.5 Pro is a thinking model that excels at multimodal understanding and it is now able to process up to 3 hours of video content. Its unique combination of long context, multimodal and reasoning capabilities can be combined to unlock new agentic workflows. Gemini 2.5 Flash provides excellent reasoning abilities at a fraction of the compute and latency requirements and Gemini 2.0 Flash and Flash-Lite provide high performance at low latency and cost. Taken together, the Gemini 2.X model generation spans the full Pareto frontier of model capability vs cost, allowing users to explore the boundaries of what is possible with complex agentic problem solving.

Yunhao Tang, Zhaohan Daniel Guo, Zeyu Zheng et al.

Offline preference optimization allows fine-tuning large models directly from offline data, and has proved effective in recent alignment practices. We propose generalized preference optimization (GPO), a family of offline losses parameterized by a general class of convex functions. GPO enables a unified view over preference optimization, encompassing existing algorithms such as DPO, IPO and SLiC as special cases, while naturally introducing new variants. The GPO framework also sheds light on how offline algorithms enforce regularization, through the design of the convex function that defines the loss. Our analysis and experiments reveal the connections and subtle differences between the offline regularization and the KL divergence regularization intended by the canonical RLHF formulation. In a controlled setting akin to Gao et al 2023, we also show that different GPO variants achieve similar trade-offs between regularization and performance, though the optimal values of hyper-parameter might differ as predicted by theory. In all, our results present new algorithmic toolkits and empirical insights to alignment practitioners.

Yunhao Tang, Daniel Zhaohan Guo, Zeyu Zheng et al. · deepmind

Reinforcement learning from human feedback (RLHF) is the canonical framework for large language model alignment. However, rising popularity in offline alignment algorithms challenge the need for on-policy sampling in RLHF. Within the context of reward over-optimization, we start with an opening set of experiments that demonstrate the clear advantage of online methods over offline methods. This prompts us to investigate the causes to the performance discrepancy through a series of carefully designed experimental ablations. We show empirically that hypotheses such as offline data coverage and data quality by itself cannot convincingly explain the performance difference. We also find that while offline algorithms train policy to become good at pairwise classification, it is worse at generations; in the meantime the policies trained by online algorithms are good at generations while worse at pairwise classification. This hints at a unique interplay between discriminative and generative capabilities, which is greatly impacted by the sampling process. Lastly, we observe that the performance discrepancy persists for both contrastive and non-contrastive loss functions, and appears not to be addressed by simply scaling up policy networks. Taken together, our study sheds light on the pivotal role of on-policy sampling in AI alignment, and hints at certain fundamental challenges of offline alignment algorithms.

Daniele Calandriello, Daniel Guo, Remi Munos et al.

Ensuring alignment of language models' outputs with human preferences is critical to guarantee a useful, safe, and pleasant user experience. Thus, human alignment has been extensively studied recently and several methods such as Reinforcement Learning from Human Feedback (RLHF), Direct Policy Optimisation (DPO) and Sequence Likelihood Calibration (SLiC) have emerged. In this paper, our contribution is two-fold. First, we show the equivalence between two recent alignment methods, namely Identity Policy Optimisation (IPO) and Nash Mirror Descent (Nash-MD). Second, we introduce a generalisation of IPO, named IPO-MD, that leverages the regularised sampling approach proposed by Nash-MD. This equivalence may seem surprising at first sight, since IPO is an offline method whereas Nash-MD is an online method using a preference model. However, this equivalence can be proven when we consider the online version of IPO, that is when both generations are sampled by the online policy and annotated by a trained preference model. Optimising the IPO loss with such a stream of data becomes then equivalent to finding the Nash equilibrium of the preference model through self-play. Building on this equivalence, we introduce the IPO-MD algorithm that generates data with a mixture policy (between the online and reference policy) similarly as the general Nash-MD algorithm. We compare online-IPO and IPO-MD to different online versions of existing losses on preference data such as DPO and SLiC on a summarisation task.

Lior Shani, Aviv Rosenberg, Asaf Cassel et al.

Reinforcement Learning from Human Feedback (RLHF) has become the standard approach for aligning Large Language Models (LLMs) with human preferences, allowing LLMs to demonstrate remarkable abilities in various tasks. Existing methods work by emulating the preferences at the single decision (turn) level, limiting their capabilities in settings that require planning or multi-turn interactions to achieve a long-term goal. In this paper, we address this issue by developing novel methods for Reinforcement Learning (RL) from preference feedback between two full multi-turn conversations. In the tabular setting, we present a novel mirror-descent-based policy optimization algorithm for the general multi-turn preference-based RL problem, and prove its convergence to Nash equilibrium. To evaluate performance, we create a new environment, Education Dialogue, where a teacher agent guides a student in learning a random topic, and show that a deep RL variant of our algorithm outperforms RLHF baselines. Finally, we show that in an environment with explicit rewards, our algorithm recovers the same performance as a reward-based RL baseline, despite relying solely on a weaker preference signal.

Tianlin Liu, Shangmin Guo, Leonardo Bianco et al.

Aligning language models with human preferences is crucial for reducing errors and biases in these models. Alignment techniques, such as reinforcement learning from human feedback (RLHF), are typically cast as optimizing a tradeoff between human preference rewards and a proximity regularization term that encourages staying close to the unaligned model. Selecting an appropriate level of regularization is critical: insufficient regularization can lead to reduced model capabilities due to reward hacking, whereas excessive regularization hinders alignment. Traditional methods for finding the optimal regularization level require retraining multiple models with varying regularization strengths. This process, however, is resource-intensive, especially for large models. To address this challenge, we propose decoding-time realignment (DeRa), a simple method to explore and evaluate different regularization strengths in aligned models without retraining. DeRa enables control over the degree of alignment, allowing users to smoothly transition between unaligned and aligned models. It also enhances the efficiency of hyperparameter tuning by enabling the identification of effective regularization strengths using a validation dataset.

Daniele Calandriello, Alessandro Lazaric, Michal Valko

We introduce Sparse-HFS, a scalable algorithm that can compute solutions to SSL problems using only O(n polylog(n)) space and O(m polylog(n)) time.

Daniil Tiapkin, Daniele Calandriello, Johan Ferret et al.

Post-training of language models (LMs) increasingly relies on the following two stages: (i) knowledge distillation, where the LM is trained to imitate a larger teacher LM, and (ii) reinforcement learning from human feedback (RLHF), where the LM is aligned by optimizing a reward model. In the second RLHF stage, a well-known challenge is reward hacking, where the LM over-optimizes the reward model. Such phenomenon is in line with Goodhart's law and can lead to degraded performance on the true objective. In this paper, we investigate whether a similar phenomenon, that we call teacher hacking, can occur during knowledge distillation. This could arise because the teacher LM is itself an imperfect approximation of the true distribution. To study this, we propose a controlled experimental setup involving: (i) an oracle LM representing the ground-truth distribution, (ii) a teacher LM distilled from the oracle, and (iii) a student LM distilled from the teacher. Our experiments reveal the following insights. When using a fixed offline dataset for distillation, teacher hacking occurs; moreover, we can detect it by observing when the optimization process deviates from polynomial convergence laws. In contrast, employing online data generation techniques effectively mitigates teacher hacking. More precisely, we identify data diversity as the key factor in preventing hacking. Overall, our findings provide a deeper understanding of the benefits and limitations of distillation for building robust and efficient LMs.

Alaa Saade, Steven Kapturowski, Daniele Calandriello et al.

We introduce Robust Exploration via Clustering-based Online Density Estimation (RECODE), a non-parametric method for novelty-based exploration that estimates visitation counts for clusters of states based on their similarity in a chosen embedding space. By adapting classical clustering to the nonstationary setting of Deep RL, RECODE can efficiently track state visitation counts over thousands of episodes. We further propose a novel generalization of the inverse dynamics loss, which leverages masked transformer architectures for multi-step prediction; which in conjunction with RECODE achieves a new state-of-the-art in a suite of challenging 3D-exploration tasks in DM-Hard-8. RECODE also sets new state-of-the-art in hard exploration Atari games, and is the first agent to reach the end screen in "Pitfall!".

Daniele Calandriello, Luigi Carratino, Alessandro Lazaric et al.

Computing a Gaussian process (GP) posterior has a computational cost cubical in the number of historical points. A reformulation of the same GP posterior highlights that this complexity mainly depends on how many \emph{unique} historical points are considered. This can have important implication in active learning settings, where the set of historical points is constructed sequentially by the learner. We show that sequential black-box optimization based on GPs (GP-Opt) can be made efficient by sticking to a candidate solution for multiple evaluation steps and switch only when necessary. Limiting the number of switches also limits the number of unique points in the history of the GP. Thus, the efficient GP reformulation can be used to exactly and cheaply compute the posteriors required to run the GP-Opt algorithms. This approach is especially useful in real-world applications of GP-Opt with high switch costs (e.g. switching chemicals in wet labs, data/model loading in hyperparameter optimization). As examples of this meta-approach, we modify two well-established GP-Opt algorithms, GP-UCB and GP-EI, to switch candidates as infrequently as possible adapting rules from batched GP-Opt. These versions preserve all the theoretical no-regret guarantees while improving practical aspects of the algorithms such as runtime, memory complexity, and the ability of batching candidates and evaluating them in parallel.

Huiyi Hu, Ang Li, Daniele Calandriello et al.

We present the One Pass ImageNet (OPIN) problem, which aims to study the effectiveness of deep learning in a streaming setting. ImageNet is a widely known benchmark dataset that has helped drive and evaluate recent advancements in deep learning. Typically, deep learning methods are trained on static data that the models have random access to, using multiple passes over the dataset with a random shuffle at each epoch of training. Such data access assumption does not hold in many real-world scenarios where massive data is collected from a stream and storing and accessing all the data becomes impractical due to storage costs and privacy concerns. For OPIN, we treat the ImageNet data as arriving sequentially, and there is limited memory budget to store a small subset of the data. We observe that training a deep network in a single pass with the same training settings used for multi-epoch training results in a huge drop in prediction accuracy. We show that the performance gap can be significantly decreased by paying a small memory cost and utilizing techniques developed for continual learning, despite the fact that OPIN differs from typical continual problem settings. We propose using OPIN to study resource-efficient deep learning.

Luigi Carratino, Stefano Vigogna, Daniele Calandriello et al.

We introduce ParK, a new large-scale solver for kernel ridge regression. Our approach combines partitioning with random projections and iterative optimization to reduce space and time complexity while provably maintaining the same statistical accuracy. In particular, constructing suitable partitions directly in the feature space rather than in the input space, we promote orthogonality between the local estimators, thus ensuring that key quantities such as local effective dimension and bias remain under control. We characterize the statistical-computational tradeoff of our model, and demonstrate the effectiveness of our method by numerical experiments on large-scale datasets.

Diego Ferigo, Raffaello Camoriano, Paolo Maria Viceconte et al.

Balancing and push-recovery are essential capabilities enabling humanoid robots to solve complex locomotion tasks. In this context, classical control systems tend to be based on simplified physical models and hard-coded strategies. Although successful in specific scenarios, this approach requires demanding tuning of parameters and switching logic between specifically-designed controllers for handling more general perturbations. We apply model-free Deep Reinforcement Learning for training a general and robust humanoid push-recovery policy in a simulation environment. Our method targets high-dimensional whole-body humanoid control and is validated on the iCub humanoid. Reward components incorporating expert knowledge on humanoid control enable fast learning of several robust behaviors by the same policy, spanning the entire body. We validate our method with extensive quantitative analyses in simulation, including out-of-sample tasks which demonstrate policy robustness and generalization, both key requirements towards real-world robot deployment.

Daniele Calandriello, Michał Dereziński, Michal Valko

Determinantal point processes (DPPs) are a useful probabilistic model for selecting a small diverse subset out of a large collection of items, with applications in summarization, stochastic optimization, active learning and more. Given a kernel function and a subset size $k$, our goal is to sample $k$ out of $n$ items with probability proportional to the determinant of the kernel matrix induced by the subset (a.k.a. $k$-DPP). Existing $k$-DPP sampling algorithms require an expensive preprocessing step which involves multiple passes over all $n$ items, making it infeasible for large datasets. A naïve heuristic addressing this problem is to uniformly subsample a fraction of the data and perform $k$-DPP sampling only on those items, however this method offers no guarantee that the produced sample will even approximately resemble the target distribution over the original dataset. In this paper, we develop an algorithm which adaptively builds a sufficiently large uniform sample of data that is then used to efficiently generate a smaller set of $k$ items, while ensuring that this set is drawn exactly from the target distribution defined on all $n$ items. We show empirically that our algorithm produces a $k$-DPP sample after observing only a small fraction of all elements, leading to several orders of magnitude faster performance compared to the state-of-the-art.

Daniele Calandriello, Luigi Carratino, Alessandro Lazaric et al.

Gaussian processes (GP) are one of the most successful frameworks to model uncertainty. However, GP optimization (e.g., GP-UCB) suffers from major scalability issues. Experimental time grows linearly with the number of evaluations, unless candidates are selected in batches (e.g., using GP-BUCB) and evaluated in parallel. Furthermore, computational cost is often prohibitive since algorithms such as GP-BUCB require a time at least quadratic in the number of dimensions and iterations to select each batch. In this paper, we introduce BBKB (Batch Budgeted Kernel Bandits), the first no-regret GP optimization algorithm that provably runs in near-linear time and selects candidates in batches. This is obtained with a new guarantee for the tracking of the posterior variances that allows BBKB to choose increasingly larger batches, improving over GP-BUCB. Moreover, we show that the same bound can be used to adaptively delay costly updates to the sparse GP approximation used by BBKB, achieving a near-constant per-step amortized cost. These findings are then confirmed in several experiments, where BBKB is much faster than state-of-the-art methods.

Daniele Calandriello, Lorenzo Rosasco

We investigate the efficiency of k-means in terms of both statistical and computational requirements. More precisely, we study a Nyström approach to kernel k-means. We analyze the statistical properties of the proposed method and show that it achieves the same accuracy of exact kernel k-means with only a fraction of computations. Indeed, we prove under basic assumptions that sampling $\sqrt{n}$ Nyström landmarks allows to greatly reduce computational costs without incurring in any loss of accuracy. To the best of our knowledge this is the first result of this kind for unsupervised learning.

Michał Dereziński, Daniele Calandriello, Michal Valko

We study the complexity of sampling from a distribution over all index subsets of the set $\{1,...,n\}$ with the probability of a subset $S$ proportional to the determinant of the submatrix $\mathbf{L}_S$ of some $n\times n$ p.s.d. matrix $\mathbf{L}$, where $\mathbf{L}_S$ corresponds to the entries of $\mathbf{L}$ indexed by $S$. Known as a determinantal point process, this distribution is used in machine learning to induce diversity in subset selection. In practice, we often wish to sample multiple subsets $S$ with small expected size $k = E[|S|] \ll n$ from a very large matrix $\mathbf{L}$, so it is important to minimize the preprocessing cost of the procedure (performed once) as well as the sampling cost (performed repeatedly). For this purpose, we propose a new algorithm which, given access to $\mathbf{L}$, samples exactly from a determinantal point process while satisfying the following two properties: (1) its preprocessing cost is $n \cdot \text{poly}(k)$, i.e., sublinear in the size of $\mathbf{L}$, and (2) its sampling cost is $\text{poly}(k)$, i.e., independent of the size of $\mathbf{L}$. Prior to our results, state-of-the-art exact samplers required $O(n^3)$ preprocessing time and sampling time linear in $n$ or dependent on the spectral properties of $\mathbf{L}$. We also give a reduction which allows using our algorithm for exact sampling from cardinality constrained determinantal point processes with $n\cdot\text{poly}(k)$ time preprocessing.

Daniele Calandriello, Luigi Carratino, Alessandro Lazaric et al.

Gaussian processes (GP) are a well studied Bayesian approach for the optimization of black-box functions. Despite their effectiveness in simple problems, GP-based algorithms hardly scale to high-dimensional functions, as their per-iteration time and space cost is at least quadratic in the number of dimensions $d$ and iterations $t$. Given a set of $A$ alternatives to choose from, the overall runtime $O(t^3A)$ is prohibitive. In this paper we introduce BKB (budgeted kernelized bandit), a new approximate GP algorithm for optimization under bandit feedback that achieves near-optimal regret (and hence near-optimal convergence rate) with near-constant per-iteration complexity and remarkably no assumption on the input space or covariance of the GP. We combine a kernelized linear bandit algorithm (GP-UCB) with randomized matrix sketching based on leverage score sampling, and we prove that randomly sampling inducing points based on their posterior variance gives an accurate low-rank approximation of the GP, preserving variance estimates and confidence intervals. As a consequence, BKB does not suffer from variance starvation, an important problem faced by many previous sparse GP approximations. Moreover, we show that our procedure selects at most $\tilde{O}(d_{eff})$ points, where $d_{eff}$ is the effective dimension of the explored space, which is typically much smaller than both $d$ and $t$. This greatly reduces the dimensionality of the problem, thus leading to a $O(TAd_{eff}^2)$ runtime and $O(A d_{eff})$ space complexity.

Alessandro Rudi, Daniele Calandriello, Luigi Carratino et al.

Leverage score sampling provides an appealing way to perform approximate computations for large matrices. Indeed, it allows to derive faithful approximations with a complexity adapted to the problem at hand. Yet, performing leverage scores sampling is a challenge in its own right requiring further approximations. In this paper, we study the problem of leverage score sampling for positive definite matrices defined by a kernel. Our contribution is twofold. First we provide a novel algorithm for leverage score sampling and second, we exploit the proposed method in statistical learning by deriving a novel solver for kernel ridge regression. Our main technical contribution is showing that the proposed algorithms are currently the most efficient and accurate for these problems.

Daniele Calandriello, Alessandro Lazaric, Michal Valko

Most kernel-based methods, such as kernel or Gaussian process regression, kernel PCA, ICA, or $k$-means clustering, do not scale to large datasets, because constructing and storing the kernel matrix $\mathbf{K}_n$ requires at least $\mathcal{O}(n^2)$ time and space for $n$ samples. Recent works show that sampling points with replacement according to their ridge leverage scores (RLS) generates small dictionaries of relevant points with strong spectral approximation guarantees for $\mathbf{K}_n$. The drawback of RLS-based methods is that computing exact RLS requires constructing and storing the whole kernel matrix. In this paper, we introduce SQUEAK, a new algorithm for kernel approximation based on RLS sampling that sequentially processes the dataset, storing a dictionary which creates accurate kernel matrix approximations with a number of points that only depends on the effective dimension $d_{eff}(γ)$ of the dataset. Moreover since all the RLS estimations are efficiently performed using only the small dictionary, SQUEAK is the first RLS sampling algorithm that never constructs the whole matrix $\mathbf{K}_n$, runs in linear time $\widetilde{\mathcal{O}}(nd_{eff}(γ)^3)$ w.r.t. $n$, and requires only a single pass over the dataset. We also propose a parallel and distributed version of SQUEAK that linearly scales across multiple machines, achieving similar accuracy in as little as $\widetilde{\mathcal{O}}(\log(n)d_{eff}(γ)^3)$ time.

Daniele Calandriello, Alessandro Lazaric, Michal Valko

Kernel online convex optimization (KOCO) is a framework combining the expressiveness of non-parametric kernel models with the regret guarantees of online learning. First-order KOCO methods such as functional gradient descent require only $\mathcal{O}(t)$ time and space per iteration, and, when the only information on the losses is their convexity, achieve a minimax optimal $\mathcal{O}(\sqrt{T})$ regret. Nonetheless, many common losses in kernel problems, such as squared loss, logistic loss, and squared hinge loss posses stronger curvature that can be exploited. In this case, second-order KOCO methods achieve $\mathcal{O}(\log(\text{Det}(\boldsymbol{K})))$ regret, which we show scales as $\mathcal{O}(d_{\text{eff}}\log T)$, where $d_{\text{eff}}$ is the effective dimension of the problem and is usually much smaller than $\mathcal{O}(\sqrt{T})$. The main drawback of second-order methods is their much higher $\mathcal{O}(t^2)$ space and time complexity. In this paper, we introduce kernel online Newton step (KONS), a new second-order KOCO method that also achieves $\mathcal{O}(d_{\text{eff}}\log T)$ regret. To address the computational complexity of second-order methods, we introduce a new matrix sketching algorithm for the kernel matrix $\boldsymbol{K}_t$, and show that for a chosen parameter $γ\leq 1$ our Sketched-KONS reduces the space and time complexity by a factor of $γ^2$ to $\mathcal{O}(t^2γ^2)$ space and time per iteration, while incurring only $1/γ$ times more regret.

Daniele Calandriello, Alessandro Lazaric, Michal Valko

We derive a new proof to show that the incremental resparsification algorithm proposed by Kelner and Levin (2013) produces a spectral sparsifier in high probability. We rigorously take into account the dependencies across subsequent resparsifications using martingale inequalities, fixing a flaw in the original analysis.

Daniele Calandriello, Alessandro Lazaric, Michal Valko et al.

While the harmonic function solution performs well in many semi-supervised learning (SSL) tasks, it is known to scale poorly with the number of samples. Recent successful and scalable methods, such as the eigenfunction method focus on efficiently approximating the whole spectrum of the graph Laplacian constructed from the data. This is in contrast to various subsampling and quantization methods proposed in the past, which may fail in preserving the graph spectra. However, the impact of the approximation of the spectrum on the final generalization error is either unknown, or requires strong assumptions on the data. In this paper, we introduce Sparse-HFS, an efficient edge-sparsification algorithm for SSL. By constructing an edge-sparse and spectrally similar graph, we are able to leverage the approximation guarantees of spectral sparsification methods to bound the generalization error of Sparse-HFS. As a result, we obtain a theoretically-grounded approximation scheme for graph-based SSL that also empirically matches the performance of known large-scale methods.

Daniele Calandriello, Gang Niu, Masashi Sugiyama

Semi-supervised clustering aims to introduce prior knowledge in the decision process of a clustering algorithm. In this paper, we propose a novel semi-supervised clustering algorithm based on the information-maximization principle. The proposed method is an extension of a previous unsupervised information-maximization clustering algorithm based on squared-loss mutual information to effectively incorporate must-links and cannot-links. The proposed method is computationally efficient because the clustering solution can be obtained analytically via eigendecomposition. Furthermore, the proposed method allows systematic optimization of tuning parameters such as the kernel width, given the degree of belief in the must-links and cannot-links. The usefulness of the proposed method is demonstrated through experiments.