Daily Papers

Recent advances in one-step text-to-image generation have enabled real-time synthesis with remarkable efficiency and quality. Previous reinforcement learning methods for one-step generators combine image-space reward optimization with diffusion noisy-space distribution matching. This paradigm brings challenges due to a mismatch between terminal reward optimization and the underlying generative dynamics. As a result, optimization tends to exploit stochastic degrees of freedom, often improving reward at the expense of image fidelity. To address this issue, we propose Diff-Instruct with Diffused Reward (DIDR), a data-free trajectory-level alignment framework derived from Integral KL minimization. DIDR propagates the RLHF-optimal reward-tilted clean-image distribution across all noise levels along the diffusion trajectory. We show that this objective admits the same minimizer as clean-image RLHF, while naturally inducing the Diffused Reward Score (DRS), which acts as a reward-driven correction to the reference score function. To make this practical, we further introduce the Diffused Reward Proxy (DRP), an efficient estimator of DRS based on differentiable short-step denoising. Extensive experiments demonstrate that DIDR consistently Pareto-dominates existing one-step SDXL baselines. Moreover, when transferred to a 6B DiT backbone (Z-Image), DIDR surpasses its 50-step teacher in preference alignment while requiring only a single generation step.

Fast and high-quality language generation is the holy grail that people pursue in the age of AI. In this work, we introduce Discrete Diffusion Divergence Instruct (DiDi-Instruct), a training-based method that initializes from a pre-trained (masked) discrete diffusion language model (dLLM) and distills a few-step student for fast generation. The resulting DiDi-Instruct model achieves comparable or superior performance to its dLLM teacher and the GPT-2 baseline while enabling up to 64times acceleration. The theoretical foundation of DiDi-Instruct is a novel framework based on integral KL-divergence minimization, which yields a practical training algorithm. We further introduce grouped reward normalization, intermediate-state matching, and the reward-guided ancestral sampler that significantly improve training stability, model coverage, and inference quality. On OpenWebText, DiDi-Instruct achieves perplexity from 62.2 (8 NFEs) to 18.4 (128 NFEs), which outperforms prior accelerated dLLMs and GPT-2 baseline. These gains come with a negligible entropy loss (around 1%) and reduce additional training wall-clock time by more than 20times compared to competing dLLM distillation methods. We further validate the robustness and effectiveness of DiDi-Instruct through extensive ablation studies, model scaling, and the generation of discrete protein sequences. In conclusion, DiDi-Instruct is an efficient yet effective distillation method, enabling language generation in the blink of an eye. We will release both code and models at github.com/haoyangzheng-ai/didi-instruct.

The kernel thinning (KT) algorithm of Dwivedi and Mackey (2021) compresses a probability distribution more effectively than independent sampling by targeting a reproducing kernel Hilbert space (RKHS) and leveraging a less smooth square-root kernel. Here we provide four improvements. First, we show that KT applied directly to the target RKHS yields tighter, dimension-free guarantees for any kernel, any distribution, and any fixed function in the RKHS. Second, we show that, for analytic kernels like Gaussian, inverse multiquadric, and sinc, target KT admits maximum mean discrepancy (MMD) guarantees comparable to or better than those of square-root KT without making explicit use of a square-root kernel. Third, we prove that KT with a fractional power kernel yields better-than-Monte-Carlo MMD guarantees for non-smooth kernels, like Laplace and Mat\'ern, that do not have square-roots. Fourth, we establish that KT applied to a sum of the target and power kernels (a procedure we call KT+) simultaneously inherits the improved MMD guarantees of power KT and the tighter individual function guarantees of target KT. In our experiments with target KT and KT+, we witness significant improvements in integration error even in 100 dimensions and when compressing challenging differential equation posteriors.

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

We point out a few pitfalls in implementing gradient estimation for KL divergence in RL training for LLM, as seen in a number of open source projects and papers. The first major pitfall is to differentiate through the KL estimate as loss functions to minimize KL divergence. We show that such implementations are generally incorrect and do not produce the desired KL gradient. Secondly, we show that some implementations do not account for the sequential nature of the estimation problem and produce a partial gradient at best. We demonstrate the impact of such issues with illustrative tabular and LLM experiments, and show the correct way to implement the KL gradient.

Variational inference (VI) seeks to approximate a target distribution pi by an element of a tractable family of distributions. Of key interest in statistics and machine learning is Gaussian VI, which approximates pi by minimizing the Kullback-Leibler (KL) divergence to pi over the space of Gaussians. In this work, we develop the (Stochastic) Forward-Backward Gaussian Variational Inference (FB-GVI) algorithm to solve Gaussian VI. Our approach exploits the composite structure of the KL divergence, which can be written as the sum of a smooth term (the potential) and a non-smooth term (the entropy) over the Bures-Wasserstein (BW) space of Gaussians endowed with the Wasserstein distance. For our proposed algorithm, we obtain state-of-the-art convergence guarantees when pi is log-smooth and log-concave, as well as the first convergence guarantees to first-order stationary solutions when pi is only log-smooth.

The LogSumExp function, dual to the Kullback-Leibler (KL) divergence, plays a central role in many important optimization problems, including entropy-regularized optimal transport (OT) and distributionally robust optimization (DRO). In practice, when the number of exponential terms inside the logarithm is large or infinite, optimization becomes challenging since computing the gradient requires differentiating every term. We propose a novel convexity- and smoothness-preserving approximation to LogSumExp that can be efficiently optimized using stochastic gradient methods. This approximation is rooted in a sound modification of the KL divergence in the dual, resulting in a new f-divergence called the Safe KL divergence. Our experiments and theoretical analysis of the LogSumExp-based stochastic optimization, arising in DRO and continuous OT, demonstrate the advantages of our approach over existing baselines.

Recent Reinforcement Learning (RL) algorithms making use of Kullback-Leibler (KL) regularization as a core component have shown outstanding performance. Yet, only little is understood theoretically about why KL regularization helps, so far. We study KL regularization within an approximate value iteration scheme and show that it implicitly averages q-values. Leveraging this insight, we provide a very strong performance bound, the very first to combine two desirable aspects: a linear dependency to the horizon (instead of quadratic) and an error propagation term involving an averaging effect of the estimation errors (instead of an accumulation effect). We also study the more general case of an additional entropy regularizer. The resulting abstract scheme encompasses many existing RL algorithms. Some of our assumptions do not hold with neural networks, so we complement this theoretical analysis with an extensive empirical study.

We study the conditions under which the convex relaxation of a mixed-integer linear programming formulation for ordered optimization problems, where sorting is part of the decision process, yields integral optimal solutions. Thereby solving the problem exactly in polynomial time. Our analysis identifies structural properties of the input data that influence the integrality of the relaxation. We show that incorporating ordered components introduces additional layers of combinatorial complexity that invalidate the exactness observed in classical (non-ordered) settings. In particular, for certain ordered problems such as the min--max case, the linear relaxation never recovers the integral solution. These results clarify the intrinsic hardness introduced by sorting and reveal that the strength of the relaxation depends critically on the ``proximity'' of the ordered problem to its classical counterpart: problems closer to the non-ordered case tend to admit tighter relaxations, while those further away exhibit substantially weaker behavior. Computational experiments on benchmark instances confirm the predictive value of the integrality conditions and demonstrate the practical implications of exact relaxations for ordered location problems.

The Karhunen--Loève transform (KLT) of the stationary AR(1) source is the classical optimality benchmark of transform coding. Its frequencies are roots of the transcendental equations of Ray and Driver, and the transform has therefore long been treated as an unstructured dense matrix. Rather than compute the exact KLT, the field turned to fast approximations of it, most famously the discrete cosine transform (DCT). This paper shows that the retreat was premature. The exact AR(1) KLT admits direct recursive factorizations, at every order Nge2 and every correlation coefficient ρin(0,1): at even orders, the transform reduces to a butterfly stage, two half-order copies of itself, and orthogonal corrections generated by rank-one boundary perturbations of the covariance; at odd orders, to two copies of the KLT of the one-sided prediction residual and an arrowhead stage absorbing the center sample. The residual KLT recurses through half order as well. All correction stages are Cauchy-structured, and applying them by the fast multipole method yields exact-KLT algorithms of O(Nlog N) complexity---the same order as the FFT and the fast sinusoidal transforms. The factorizations follow from the covariance matrix by the Sherman--Morrison identity and the classical secular eigenvalue updates, and degenerate, as ρto1, to the known parity splittings of the DCT-II. As secondary results, the factorization constants are shown to be algebraic functions of ρ---in radicals for all Nle8---and complete exact KLT modules for N=2,dots,8 are given.

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.

In this paper, we consider the minimum submodular cost allocation (MSCA) problem. The input of MSCA is k non-negative submodular functions f_1,ldots,f_k on the ground set N given by evaluation oracles, and the goal is to partition N into k (possibly empty) sets X_1,ldots,X_k so that sum_{i=1}^k f_i(X_i) is minimized. In this paper, we focus on the case when f_1,ldots,f_k are monotone (denoted by Mono-MSCA). We provide a natural LP-relaxation for Mono-MSCA, which is equivalent to the convex program relaxation introduced by Chekuri and Ene. We show that the integrality gap of the LP-relaxation is at most k/2, which yields a k/2-approximation algorithm for Mono-MSCA. We also show that the integrality gap of the LP-relaxation is at least k/2-epsilon for any constant epsilon>0 when k is fixed.

We study the problem of constrained efficient global optimization, where both the objective and constraints are expensive black-box functions that can be learned with Gaussian processes. We propose CONFIG (CONstrained efFIcient Global Optimization), a simple and effective algorithm to solve it. Under certain regularity assumptions, we show that our algorithm enjoys the same cumulative regret bound as that in the unconstrained case and similar cumulative constraint violation upper bounds. For commonly used Matern and Squared Exponential kernels, our bounds are sublinear and allow us to derive a convergence rate to the optimal solution of the original constrained problem. In addition, our method naturally provides a scheme to declare infeasibility when the original black-box optimization problem is infeasible. Numerical experiments on sampled instances from the Gaussian process, artificial numerical problems, and a black-box building controller tuning problem all demonstrate the competitive performance of our algorithm. Compared to the other state-of-the-art methods, our algorithm significantly improves the theoretical guarantees, while achieving competitive empirical performance.

Standard LLM distillation wastes compute on two fronts: problems the student has already mastered (near-zero gradients) and problems far beyond its reach (incoherent gradients that erode existing capabilities). We show that this waste is not merely intuitive but structurally inevitable: the gradient signal-to-noise ratio in distillation provably vanishes at both pass-rate extremes. This theoretical observation leads to Paced, a framework that concentrates distillation on the zone of proximal development -- the frontier of a student model's competence -- via a principled pass-rate weight w(p) = p^α(1 - p)^β derived from the boundary-vanishing structure of distillation gradients. Key results: (1) Theory: We prove that the Beta kernel w(p) = p^α(1-p)^β is a leading-order weight family arising from the SNR structure of distillation, and that it is minimax-robust -- under bounded multiplicative misspecification, worst-case efficiency loss is only O(δ^2). (2)Distillation: On distillation from a larger teacher to a smaller student model with forward KL, Paced achieves significant gain over the base model, while keeping benchmark forgetting at a low level. (3)Self-distillation: On instruction-tuned models with reverse KL, gains are exceeding baselines as well. (4)Two-stage synergy: A forward-KL-then-reverse-KL schedule yields the strongest results in our setting, reaching substantial improvements on standard reasoning benchmarks -- supporting a mode-coverage-then-consolidation interpretation of the distillation process. All configurations require only student rollouts to estimate pass rates, need no architectural changes, and are compatible with any KL direction.

We introduce Exhaustive Symbolic Integration (ESI), a method that enumerates all symbolic functions up to a given complexity k within a specified operator basis and determines which admit closed-form antiderivatives within the same class. This allows us to compute the "integrability fraction" ρ(k) (the fraction of functions whose derivatives lie within the same class), which we do for five operator bases including combinations of rational functions, powers, exponentials, logarithms and trigonometric functions. We find that ρ(k) declines at high complexity and that the operator basis has a dramatic effect -- in particular, adding the logarithm boosts ρ(k) by a factor of sim3 and produces or exacerbates a clear peak at k=6. We also deploy ESI as a novel integration algorithm, identifying three integrals that resist SymPy, Mathematica, RUBI, FriCAS, Maxima and Giac under all tested strategies. When an antiderivative can be found by multiple methods, ESI often returns the simplest form. These results reveal that the landscape of symbolic integrability is shaped primarily by the choice of operators, and that exhaustive enumeration can systematically discover integrable forms -- including novel ones -- that elude computer albegra systems.

Many policy optimization approaches in reinforcement learning incorporate a Kullback-Leilbler (KL) divergence to the previous policy, to prevent the policy from changing too quickly. This idea was initially proposed in a seminal paper on Conservative Policy Iteration, with approximations given by algorithms like TRPO and Munchausen Value Iteration (MVI). We continue this line of work by investigating a generalized KL divergence -- called the Tsallis KL divergence -- which use the q-logarithm in the definition. The approach is a strict generalization, as q = 1 corresponds to the standard KL divergence; q > 1 provides a range of new options. We characterize the types of policies learned under the Tsallis KL, and motivate when q >1 could be beneficial. To obtain a practical algorithm that incorporates Tsallis KL regularization, we extend MVI, which is one of the simplest approaches to incorporate KL regularization. We show that this generalized MVI(q) obtains significant improvements over the standard MVI(q = 1) across 35 Atari games.

We give an improved theoretical analysis of score-based generative modeling. Under a score estimate with small L^2 error (averaged across timesteps), we provide efficient convergence guarantees for any data distribution with second-order moment, by either employing early stopping or assuming smoothness condition on the score function of the data distribution. Our result does not rely on any log-concavity or functional inequality assumption and has a logarithmic dependence on the smoothness. In particular, we show that under only a finite second moment condition, approximating the following in reverse KL divergence in epsilon-accuracy can be done in tilde Oleft(d log (1/delta){epsilon}right) steps: 1) the variance-delta Gaussian perturbation of any data distribution; 2) data distributions with 1/delta-smooth score functions. Our analysis also provides a quantitative comparison between different discrete approximations and may guide the choice of discretization points in practice.

Optimizers that exploit the matrix structure of gradients are central to modern LLM pre-training, with two distinct frontiers: explicit Kronecker-factored preconditioning -- most recently KL-Shampoo, which estimates the preconditioner via KL divergence minimization -- and orthogonalization of the gradient momentum, exemplified by Muon and analyzed as steepest descent under the spectral norm. The two routes are typically developed in isolation. We make a structural observation about KL-Shampoo's Kronecker preconditioners: their eigenvalue spectra exhibit a spike-and-flat shape -- a few dominant eigenvalues followed by an approximately uniform tail -- across layers and training stages, holding exactly under a rank-ρ signal-plus-noise gradient model. We exploit this structure by restricting one of KL-Shampoo's Kronecker factors to a parametric family aligned with the spike-and-flat shape: full spectral structure on a tracked r-dimensional subspace, single shared eigenvalue across the remaining n-r directions. On these directions, we apply orthogonalization. An identity shows that this orthogonalization recovers the algebraic form of full KL-Shampoo's preconditioner. On four pre-training scales (GPT-2 124M / 350M, LLaMA 134M / 450M), Pro-KLShampoo consistently outperforms KL-Shampoo at every subspace rank we test in validation loss, peak per-GPU memory, and wallclock time to reach each loss level.

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.

To achieve scalable and accurate inference for latent Gaussian processes, we propose a variational approximation based on a family of Gaussian distributions whose covariance matrices have sparse inverse Cholesky (SIC) factors. We combine this variational approximation of the posterior with a similar and efficient SIC-restricted Kullback-Leibler-optimal approximation of the prior. We then focus on a particular SIC ordering and nearest-neighbor-based sparsity pattern resulting in highly accurate prior and posterior approximations. For this setting, our variational approximation can be computed via stochastic gradient descent in polylogarithmic time per iteration. We provide numerical comparisons showing that the proposed double-Kullback-Leibler-optimal Gaussian-process approximation (DKLGP) can sometimes be vastly more accurate for stationary kernels than alternative approaches such as inducing-point and mean-field approximations at similar computational complexity.

We characterize the statistical efficiency of knowledge transfer through n samples from a teacher to a probabilistic student classifier with input space mathcal S over labels mathcal A. We show that privileged information at three progressive levels accelerates the transfer. At the first level, only samples with hard labels are known, via which the maximum likelihood estimator attains the minimax rate {|{mathcal S||{mathcal A}|}/{n}}. The second level has the teacher probabilities of sampled labels available in addition, which turns out to boost the convergence rate lower bound to {{|{mathcal S}||{mathcal A}|}/{n}}. However, under this second data acquisition protocol, minimizing a naive adaptation of the cross-entropy loss results in an asymptotically biased student. We overcome this limitation and achieve the fundamental limit by using a novel empirical variant of the squared error logit loss. The third level further equips the student with the soft labels (complete logits) on {mathcal A} given every sampled input, thereby provably enables the student to enjoy a rate {|{mathcal S}|}/{n} free of |{mathcal A}|. We find any Kullback-Leibler divergence minimizer to be optimal in the last case. Numerical simulations distinguish the four learners and corroborate our theory.

Finding the mode of a high dimensional probability distribution D is a fundamental algorithmic problem in statistics and data analysis. There has been particular interest in efficient methods for solving the problem when D is represented as a mixture model or kernel density estimate, although few algorithmic results with worst-case approximation and runtime guarantees are known. In this work, we significantly generalize a result of (LeeLiMusco:2021) on mode approximation for Gaussian mixture models. We develop randomized dimensionality reduction methods for mixtures involving a broader class of kernels, including the popular logistic, sigmoid, and generalized Gaussian kernels. As in Lee et al.'s work, our dimensionality reduction results yield quasi-polynomial algorithms for mode finding with multiplicative accuracy (1-epsilon) for any epsilon > 0. Moreover, when combined with gradient descent, they yield efficient practical heuristics for the problem. In addition to our positive results, we prove a hardness result for box kernels, showing that there is no polynomial time algorithm for finding the mode of a kernel density estimate, unless P = NP. Obtaining similar hardness results for kernels used in practice (like Gaussian or logistic kernels) is an interesting future direction.

Attention distillation, which trains one attention distribution to match another by minimizing their Kullback-Leibler (KL) divergence, is widely used in knowledge distillation, model compression, continual learning, and sparse-attention LLM training. However, existing approaches materialize both attention distributions before computing the KL reduction, incurring O(N_QN_K) memory and IO costs that become prohibitive at long context lengths. We present StreamKL, the first fused GPU primitive for attention KL divergence that eliminates this quadratic materialization. StreamKL derives a novel online formulation for the coupled two-distribution KL reduction, enabling a single one-pass forward kernel that streams query-key tiles through on-chip SRAM. For the backward pass, StreamKL recomputes attention probabilities tile-by-tile, avoiding storage of quadratic intermediates. We further design and implement efficient GPU kernels with dedicated optimizations. Experiments show StreamKL delivers up to 43times and 14times speedups over baseline methods in the forward and backward passes, respectively. Most importantly, StreamKL reduces the extra HBM footprint of attention distillation from O(N_QN_K) to O(1), enabling long-context distillation on a single GPU.

Asynchronous reinforcement learning (RL) for large language model (LLM) agents trains one policy on trajectories generated by another: rollouts come from stale checkpoints, and the inference engine's probabilities differ from the trainer's even at identical parameters. Standard remedies either clip importance ratios, which biases the update, or, as in GRPO, sample a group of responses per prompt, which is costly when episodes are long. We propose KL-Regularized Policy Optimization (KLPO), a framework that anchors the KL regularizer at the sampler. The regularized improvement step then has a closed-form Gibbs solution, and KLPO fits its log-ratio optimality condition by least squares on the sampler's own trajectories, so the sampler probability enters through a log-ratio and no importance weights are needed. Profiling out the regression intercept replaces the intractable log-partition function with the signal's sampler mean plus a sampler-to-trainer KL divergence. For token-level policy mirror descent targets, we show that the resulting gradient can be computed from terminal returns without a critic, via sampler-centered scores or a single trajectory residual, even under stochastic tool outputs. We further prove that independent Monte Carlo estimates of the KL term keep these gradients unbiased, derive the exact KL gap of cheaper top-K and binary approximations, and show that SPPO, GPO, REBEL, and BPO arise as special cases of KLPO. The result is a critic-free update that uses one rollout per prompt and requires neither a learned normalizer nor a group of responses.

Kullback-Leiber divergence has been widely used in Knowledge Distillation (KD) to compress Large Language Models (LLMs). Contrary to prior assertions that reverse Kullback-Leibler (RKL) divergence is mode-seeking and thus preferable over the mean-seeking forward Kullback-Leibler (FKL) divergence, this study empirically and theoretically demonstrates that neither mode-seeking nor mean-seeking properties manifest in KD for LLMs. Instead, RKL and FKL are found to share the same optimization objective and both converge after a sufficient number of epochs. However, due to practical constraints, LLMs are seldom trained for such an extensive number of epochs. Meanwhile, we further find that RKL focuses on the tail part of the distributions, while FKL focuses on the head part at the beginning epochs. Consequently, we propose a simple yet effective Adaptive Kullback-Leiber (AKL) divergence method, which adaptively allocates weights to combine FKL and RKL. Metric-based and GPT-4-based evaluations demonstrate that the proposed AKL outperforms the baselines across various tasks and improves the diversity and quality of generated responses.

Integral reinforcement learning (IntRL) demands the precise computation of the utility function's integral at its policy evaluation (PEV) stage. This is achieved through quadrature rules, which are weighted sums of utility functions evaluated from state samples obtained in discrete time. Our research reveals a critical yet underexplored phenomenon: the choice of the computational method -- in this case, the quadrature rule -- can significantly impact control performance. This impact is traced back to the fact that computational errors introduced in the PEV stage can affect the policy iteration's convergence behavior, which in turn affects the learned controller. To elucidate how computation impacts control, we draw a parallel between IntRL's policy iteration and Newton's method applied to the Hamilton-Jacobi-Bellman equation. In this light, computational error in PEV manifests as an extra error term in each iteration of Newton's method, with its upper bound proportional to the computational error. Further, we demonstrate that when the utility function resides in a reproducing kernel Hilbert space (RKHS), the optimal quadrature is achievable by employing Bayesian quadrature with the RKHS-inducing kernel function. We prove that the local convergence rates for IntRL using the trapezoidal rule and Bayesian quadrature with a Mat\'ern kernel to be O(N^{-2}) and O(N^{-b}), where N is the number of evenly-spaced samples and b is the Mat\'ern kernel's smoothness parameter. These theoretical findings are finally validated by two canonical control tasks.

Reinforcement Learning with Verifiable Rewards (RLVR) has become the standard paradigm for LLM mathematical reasoning, with Group Relative Policy Optimization (GRPO) serving as the dominant algorithm. We identify two overlooked inefficiencies inherent in GRPO. First, a fixed KL coefficient overly restricts policy exploration at moments when the model needs to diverge significantly from the reference policy. Second, uniform question sampling overlooks that moderately difficult problems produce the most informative gradient signals. We propose FG-ExPO, short for Frontier-Guided Exploration-Prioritized Policy Optimization, which integrates two lightweight components. Accuracy-Conditioned KL Scaling (AKL) adjusts the KL penalty strength through a smooth nonlinear function of batch average accuracy, loosening the constraint when the model performs poorly and strengthening it when the model achieves satisfactory results. Gaussian Curriculum Sampling (GCS) assigns sampling weights to questions following a Gaussian distribution centered at a moderate accuracy level around 0.5, focusing model training on its learning frontier. We conduct evaluations on DeepSeek-R1-Distill-Qwen-1.5B and Qwen3-8B-Base across six mainstream mathematical reasoning benchmarks. Experimental results demonstrate that FG-ExPO consistently outperforms vanilla GRPO. It delivers an absolute improvement of 13.34 on the AIME 2025 pass@32 metric, rising from 63.33 percent to 76.67 percent, and obtains an average pass@32 gain of 2.66 on the 8B model. The substantially larger performance gains observed on pass@32 compared to pass@1 verify that FG-ExPO enlarges the model's effective exploration space under a fixed inference budget.

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 O(t) time and space per iteration, and, when the only information on the losses is their convexity, achieve a minimax optimal O(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 O(log(Det(K))) regret, which we show scales as O(d_{eff}log T), where d_{eff} is the effective dimension of the problem and is usually much smaller than O(T). The main drawback of second-order methods is their much higher 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 O(d_{eff}log T) regret. To address the computational complexity of second-order methods, we introduce a new matrix sketching algorithm for the kernel matrix K_t, and show that for a chosen parameter γleq 1 our Sketched-KONS reduces the space and time complexity by a factor of γ^2 to O(t^2γ^2) space and time per iteration, while incurring only 1/γ times more regret.

Group Relative Policy Optimization (GRPO) is widely used for critic-free Large Language Model (LLM) post-training, but its KL regularization is usually implemented as a local loss-side token penalty. We show that this misses the policy-gradient signal induced by autoregressive KL regularization. Unlike standard KL-regularized Reinforcement Learning (RL) objectives, GRPO's group normalization induces a non-linear prompt-level utility; for binary verifier rewards, this utility is 2arcsinsqrt p. As a result, reward and KL cannot be fused before normalization without changing the implicit objective. We derive the on-policy gradient of GRPO-style objectives with token-wise f-divergence regularization. The reward term recovers the standardized GRPO advantage, while the regularizer term includes a causal future-regularization return-to-go omitted by local KL losses. For reverse KL, this yields a simple future KL correction: add a reverse cumulative sum of per-token log ratios after advantage construction. The resulting method, Future-KL Regularized Policy Optimization (FRPO), requires no critic or extra model passes. On mathematical reasoning tasks, FRPO improves pass@16 in our main large-model setting while maintaining higher entropy and lower policy drift than conventional loss-side KL baselines.

Knowledge Distillation (KD) is a promising technique for reducing the high computational demand of large language models (LLMs). However, previous KD methods are primarily applied to white-box classification models or training small models to imitate black-box model APIs like ChatGPT. How to effectively distill the knowledge from white-box generative LLMs is still under-explored, which becomes more and more important with the prosperity of LLMs. In this work, we propose MiniLLM that distills smaller language models from generative larger language models. We first replace the forward Kullback-Leibler divergence (KLD) objective in the standard KD approaches with reverse KLD, which is more suitable for KD on generative language models, to prevent the student model from overestimating the low-probability regions of the teacher distribution. Then, we derive an effective optimization approach to learn this objective. Extensive experiments in the instruction-following setting show that the MiniLLM models generate more precise responses with the higher overall quality, lower exposure bias, better calibration, and higher long-text generation performance. Our method is also scalable for different model families with 120M to 13B parameters. We will release our code and model checkpoints at https://aka.ms/MiniLLM.

The reasoning performance of large language models (LLMs) can be substantially improved by training them with reinforcement learning (RL). The RL objective for LLM training involves a regularization term, which is the reverse Kullback-Leibler (KL) divergence between the trained policy and the reference policy. Since computing the KL divergence exactly is intractable, various estimators are used in practice to estimate it from on-policy samples. Despite its wide adoption, including in several open-source libraries, there is no systematic study analyzing the numerous ways of incorporating KL estimators in the objective and their effect on the downstream performance of RL-trained models. Recent works show that prevailing practices for incorporating KL regularization do not provide correct gradients for stated objectives, creating a discrepancy between the objective and its implementation. In this paper, we further analyze these practices and study the gradients of several estimators configurations, revealing how design choices shape gradient bias. We substantiate these findings with empirical observations by RL fine-tuning Qwen2.5-7B, Llama-3.1-8B-Instruct and Qwen3-4B-Instruct-2507 with different configurations and evaluating their performance on both in- and out-of-distribution tasks. Through our analysis, we observe that, in on-policy settings: (1) estimator configurations with biased gradients can result in training instabilities; and (2) using estimator configurations resulting in unbiased gradients leads to better performance on in-domain as well as out-of-domain tasks. We also investigate the performance resulting from different KL configurations in off-policy settings and observe that KL regularization can help stabilize off-policy RL training resulting from asynchronous setups.

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

Satellite image inpainting is a crucial task in remote sensing, where accurately restoring missing or occluded regions is essential for robust image analysis. In this paper, we propose KAO, a novel framework that utilizes Kernel-Adaptive Optimization within diffusion models for satellite image inpainting. KAO is specifically designed to address the challenges posed by very high-resolution (VHR) satellite datasets, such as DeepGlobe and the Massachusetts Roads Dataset. Unlike existing methods that rely on preconditioned models requiring extensive retraining or postconditioned models with significant computational overhead, KAO introduces a Latent Space Conditioning approach, optimizing a compact latent space to achieve efficient and accurate inpainting. Furthermore, we incorporate Explicit Propagation into the diffusion process, facilitating forward-backward fusion, which improves the stability and precision of the method. Experimental results demonstrate that KAO sets a new benchmark for VHR satellite image restoration, providing a scalable, high-performance solution that balances the efficiency of preconditioned models with the flexibility of postconditioned models.

We consider the optimization problem of the form min_{x in R^d} f(x) triangleq E_{xi} [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 O( L^4 d^{3/2} epsilon^{-4} + Delta L^3 d^{3/2} delta^{-1} epsilon^{-4}) stochastic zeroth-order oracle complexity to find a (delta,epsilon)-Goldstein stationary point of objective function, where Delta = f(x_0) - inf_{x in 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 O(L^3 d^{3/2} epsilon^{-3}+ Delta L^2 d^{3/2} delta^{-1} epsilon^{-3}).

The information bottleneck (IB) approach is popular to improve the generalization, robustness and explainability of deep neural networks. Essentially, it aims to find a minimum sufficient representation t by striking a trade-off between a compression term I(x;t) and a prediction term I(y;t), where I(cdot;cdot) refers to the mutual information (MI). MI is for the IB for the most part expressed in terms of the Kullback-Leibler (KL) divergence, which in the regression case corresponds to prediction based on mean squared error (MSE) loss with Gaussian assumption and compression approximated by variational inference. In this paper, we study the IB principle for the regression problem and develop a new way to parameterize the IB with deep neural networks by exploiting favorable properties of the Cauchy-Schwarz (CS) divergence. By doing so, we move away from MSE-based regression and ease estimation by avoiding variational approximations or distributional assumptions. We investigate the improved generalization ability of our proposed CS-IB and demonstrate strong adversarial robustness guarantees. We demonstrate its superior performance on six real-world regression tasks over other popular deep IB approaches. We additionally observe that the solutions discovered by CS-IB always achieve the best trade-off between prediction accuracy and compression ratio in the information plane. The code is available at https://github.com/SJYuCNEL/Cauchy-Schwarz-Information-Bottleneck.

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

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

Knowledge distillation (KD) has been widely adopted to compress large language models (LLMs). Existing KD methods investigate various divergence measures including the Kullback-Leibler (KL), reverse Kullback-Leibler (RKL), and Jensen-Shannon (JS) divergences. However, due to limitations inherent in their assumptions and definitions, these measures fail to deliver effective supervision when few distribution overlap exists between the teacher and the student. In this paper, we show that the aforementioned KL, RKL, and JS divergences respectively suffer from issues of mode-averaging, mode-collapsing, and mode-underestimation, which deteriorates logits-based KD for diverse NLP tasks. We propose the Sinkhorn Knowledge Distillation (SinKD) that exploits the Sinkhorn distance to ensure a nuanced and precise assessment of the disparity between teacher and student distributions. Besides, profit by properties of the Sinkhorn metric, we can get rid of sample-wise KD that restricts the perception of divergence in each teacher-student sample pair. Instead, we propose a batch-wise reformulation to capture geometric intricacies of distributions across samples in the high-dimensional space. Comprehensive evaluation on GLUE and SuperGLUE, in terms of comparability, validity, and generalizability, highlights our superiority over state-of-the-art methods on all kinds of LLMs with encoder-only, encoder-decoder, and decoder-only architectures.

Sampling from diffusion models involves a slow iterative process that hinders their practical deployment, especially for interactive applications. To accelerate generation speed, recent approaches distill a multi-step diffusion model into a single-step student generator via variational score distillation, which matches the distribution of samples generated by the student to the teacher's distribution. However, these approaches use the reverse Kullback-Leibler (KL) divergence for distribution matching which is known to be mode seeking. In this paper, we generalize the distribution matching approach using a novel f-divergence minimization framework, termed f-distill, that covers different divergences with different trade-offs in terms of mode coverage and training variance. We derive the gradient of the f-divergence between the teacher and student distributions and show that it is expressed as the product of their score differences and a weighting function determined by their density ratio. This weighting function naturally emphasizes samples with higher density in the teacher distribution, when using a less mode-seeking divergence. We observe that the popular variational score distillation approach using the reverse-KL divergence is a special case within our framework. Empirically, we demonstrate that alternative f-divergences, such as forward-KL and Jensen-Shannon divergences, outperform the current best variational score distillation methods across image generation tasks. In particular, when using Jensen-Shannon divergence, f-distill achieves current state-of-the-art one-step generation performance on ImageNet64 and zero-shot text-to-image generation on MS-COCO. Project page: https://research.nvidia.com/labs/genair/f-distill

Nonlinear operators with long distance spatiotemporal dependencies are fundamental in modeling complex systems across sciences, yet learning these nonlocal operators remains challenging in machine learning. Integral equations (IEs), which model such nonlocal systems, have wide ranging applications in physics, chemistry, biology, and engineering. We introduce Neural Integral Equations (NIE), a method for learning unknown integral operators from data using an IE solver. To improve scalability and model capacity, we also present Attentional Neural Integral Equations (ANIE), which replaces the integral with self-attention. Both models are grounded in the theory of second kind integral equations, where the indeterminate appears both inside and outside the integral operator. We provide theoretical analysis showing how self-attention can approximate integral operators under mild regularity assumptions, further deepening previously reported connections between transformers and integration, and deriving corresponding approximation results for integral operators. Through numerical benchmarks on synthetic and real world data, including Lotka-Volterra, Navier-Stokes, and Burgers' equations, as well as brain dynamics and integral equations, we showcase the models' capabilities and their ability to derive interpretable dynamics embeddings. Our experiments demonstrate that ANIE outperforms existing methods, especially for longer time intervals and higher dimensional problems. Our work addresses a critical gap in machine learning for nonlocal operators and offers a powerful tool for studying unknown complex systems with long range dependencies.

The minimum k-cut problem asks for the fewest edges whose removal leaves an input graph with at least k connected components. Previously, the best algorithm for simple graphs ran in O_k(n^{(1-varepsilon)k+O(1)}) time~HL22, showing that the \(n^k\) barrier can be broken up to a polynomial overhead. We give the first widetilde O_k(n^{ck})-time algorithm for Minimum k-Cut on simple graphs for an absolute constant c<1. More precisely, the running times are widetilde O(n^2) for k=3, widetilde O(n^{55/19}) for k=4, and widetilde O(n^{4.112007}) for k=5; for every kge6, the running time is \[ k^{O(k^2)}n^{1+(6k-6)k-1.749614{7k-10}}(\log n)^{O(k^2)}, \] whose exponent is frac67k-0.132ldots+O(1/k). The algorithm combines three ingredients. First, for weighted Minimum k-Cut we give a randomized \[ k^{O(k^2)}n^{k-2}(m+n)\log^3(n) \] -time algorithm: it perturbs the edge weights so that any minimum k-cut has a side with boundary strictly smaller than average. These then cut few edges of some tree in a logarithmic-size sample from a tree packing with high probability. After we enumerate them, we recursively compute (k-1)-cuts to complete them to the k-cuts of which they were a part. A variant of the perturbation and processing the entire packing support give a deterministic k^{O(k^2)}n^{k+O(1)}-time variant. Second, for cut size s, we give an improved FPT algorithm using a near-linear-time construction of an (O(slog^2 nloglog n),s) edge-unbreakable tree decomposition with O(slog^2 nloglog n) adhesion; this also gives a near-linear-time approximation algorithm for Minimum k-Cut. Third, we refine the border/island framework of~HL22, using rectangular matrix multiplication to recover singleton islands and balancing it against the improved FPT algorithm.

For a parametric model of distributions, the closest distribution in the model to the true distribution located outside the model is considered. Measuring the closeness between two distributions with the Kullback-Leibler (K-L) divergence, the closest distribution is called the "information projection." The estimation risk of the maximum likelihood estimator (MLE) is defined as the expectation of K-L divergence between the information projection and the predictive distribution with plugged-in MLE. Here, the asymptotic expansion of the risk is derived up to n^{-2}-order, and the sufficient condition on the risk for the Bayes error rate between the true distribution and the information projection to be lower than a specified value is investigated. Combining these results, the "p-n criterion" is proposed, which determines whether the MLE is sufficiently close to the information projection for the given model and sample. In particular, the criterion for an exponential family model is relatively simple and can be used for a complex model with no explicit form of normalizing constant. This criterion can constitute a solution to the sample size or model acceptance problem. Use of the p-n criteria is demonstrated for two practical datasets. The relationship between the results and information criteria is also studied.

We consider the problem of approximating a function from L^2 by an element of a given m-dimensional space V_m, associated with some feature map varphi, using evaluations of the function at random points x_1,dots,x_n. After recalling some results on optimal weighted least-squares using independent and identically distributed points, we consider weighted least-squares using projection determinantal point processes (DPP) or volume sampling. These distributions introduce dependence between the points that promotes diversity in the selected features varphi(x_i). We first provide a generalized version of volume-rescaled sampling yielding quasi-optimality results in expectation with a number of samples n = O(mlog(m)), that means that the expected L^2 error is bounded by a constant times the best approximation error in L^2. Also, further assuming that the function is in some normed vector space H continuously embedded in L^2, we further prove that the approximation is almost surely bounded by the best approximation error measured in the H-norm. This includes the cases of functions from L^infty or reproducing kernel Hilbert spaces. Finally, we present an alternative strategy consisting in using independent repetitions of projection DPP (or volume sampling), yielding similar error bounds as with i.i.d. or volume sampling, but in practice with a much lower number of samples. Numerical experiments illustrate the performance of the different strategies.

We consider a class of structured fractional minimization problems, in which the numerator part of the objective is the sum of a differentiable convex function and a convex non-smooth function, while the denominator part is a convex or concave function. This problem is difficult to solve since it is non-convex. By exploiting the structure of the problem, we propose two Coordinate Descent (CD) methods for solving this problem. The proposed methods iteratively solve a one-dimensional subproblem globally, and they are guaranteed to converge to coordinate-wise stationary points. In the case of a convex denominator, under a weak locally bounded non-convexity condition, we prove that the optimality of coordinate-wise stationary point is stronger than that of the standard critical point and directional point. Under additional suitable conditions, CD methods converge Q-linearly to coordinate-wise stationary points. In the case of a concave denominator, we show that any critical point is a global minimum, and CD methods converge to the global minimum with a sublinear convergence rate. We demonstrate the applicability of the proposed methods to some machine learning and signal processing models. Our experiments on real-world data have shown that our method significantly and consistently outperforms existing methods in terms of accuracy.

We present anyakrakusuma, an open-source Python library that solves the discrete static Schrödinger bridge problem, the entropically regularized counterpart of optimal transport, through a log-domain Sinkhorn--Knopp iteration and reconstructs the entropic interpolation between two empirical point clouds. The solver is paired with a diagnostic pipeline that characterizes the optimal coupling and the intermediate distributions through information-theoretic and geometric measures. We exercise the library on four idealized planar cases spanning a circle-to-circle dilation, a spiral-to-mixture fragmentation, a rigid reorientation of two moons, and a Lissajous-to-trefoil deformation. The log-domain formulation is necessary rather than merely convenient at the parameters studied, where the cost-to-regularization ratio reaches four hundred and the Gibbs kernel underflows double precision across most of its range; the iteration nonetheless attains a marginal residual of 10^{-9} and unit marginal fidelity in every case. Residual histories decay geometrically over approximately eight decades at per-iteration contraction factors between 0.966 and 0.976, which are local rates near the fixed point that lie many orders of magnitude below the worst-case Hilbert-metric bound. The covariance analysis recovers an imposed ninety-degree reorientation to within 0.07^circ, roughly forty times smaller than its uncertainty, across a masked interval of near-isotropy on which the principal axis is unobservable. The diagnostics are reported with explicit attention to the regimes in which each is well defined, including the differential entropy, which is meaningful only on the open interpolation interval. The presented cases are constructed rather than measured; quantitative application to empirical point clouds requires further study.

The current best bounds on the matrix multiplication exponent ω are obtained through a refinement of the laser method called combination loss analysis (Duan et al., 2022; Williams et al., 2024; Alman et al., 2025). In this note, we address the optimization problem at the core of this approach and propose several improvements. First, we reformulate the optimization problem allowing us to solve it in a larger setting than was previously possible. Second, we leverage recent advances in machine learning to design a new optimization algorithm for this problem. Finally, we refine the resulting optimization algorithm with AlphaEvolve. Our combined approach yields an upper bound of ω < 2.371177, improving the previous best bound of 2.371339.

This paper re-examines a continuous optimization framework dubbed NOTEARS for learning Bayesian networks. We first generalize existing algebraic characterizations of acyclicity to a class of matrix polynomials. Next, focusing on a one-parameter-per-edge setting, it is shown that the Karush-Kuhn-Tucker (KKT) optimality conditions for the NOTEARS formulation cannot be satisfied except in a trivial case, which explains a behavior of the associated algorithm. We then derive the KKT conditions for an equivalent reformulation, show that they are indeed necessary, and relate them to explicit constraints that certain edges be absent from the graph. If the score function is convex, these KKT conditions are also sufficient for local minimality despite the non-convexity of the constraint. Informed by the KKT conditions, a local search post-processing algorithm is proposed and shown to substantially and universally improve the structural Hamming distance of all tested algorithms, typically by a factor of 2 or more. Some combinations with local search are both more accurate and more efficient than the original NOTEARS.

The k-Means clustering problem on n points is NP-Hard for any dimension dge 2, however, for the 1D case there exists exact polynomial time algorithms. Previous literature reported an O(kn^2) time dynamic programming algorithm that uses O(kn) space. It turns out that the problem has been considered under a different name more than twenty years ago. We present all the existing work that had been overlooked and compare the various solutions theoretically. Moreover, we show how to reduce the space usage for some of them, as well as generalize them to data structures that can quickly report an optimal k-Means clustering for any k. Finally we also generalize all the algorithms to work for the absolute distance and to work for any Bregman Divergence. We complement our theoretical contributions by experiments that compare the practical performance of the various algorithms.

In recent years, bilevel optimization (BLO) has attracted significant attention for its broad applications in machine learning. However, most existing works on BLO remain confined to the single-task setting and rely on the lower-level strong convexity assumption, which significantly restricts their applicability to modern machine learning problems of growing complexity. In this paper, we make the first attempt to extend BLO to the multi-task setting under a relaxed lower-level general convexity (LLGC) assumption. To this end, we reformulate the multi-task bilevel learning (MTBL) problem with LLGC into an equality constrained multi-objective optimization (ECMO) problem. However, ECMO itself is a new problem that has not yet been studied in the literature. To address this gap, we first establish a new Karush-Kuhn-Tucker (KKT)-based Pareto stationarity as the convergence criterion for ECMO algorithm design. Based on this foundation, we propose a weighted Chebyshev (WC)-penalty algorithm that achieves a finite-time convergence rate of O(ST^{-1{2}) to KKT-based Pareto stationarity in both deterministic and stochastic settings, where S denotes the number of objectives, and T is the total iterations. Moreover, by varying the preference vector over the S-dimensional simplex, our WC-penalty method systematically explores the Pareto front. Finally, solutions to the ECMO problem translate directly into solutions for the original MTBL problem, thereby closing the loop between these two foundational optimization frameworks.

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

Feature preprocessing continues to play a critical role when applying machine learning and statistical methods to tabular data. In this paper, we propose the use of the kernel density integral transformation as a feature preprocessing step. Our approach subsumes the two leading feature preprocessing methods as limiting cases: linear min-max scaling and quantile transformation. We demonstrate that, without hyperparameter tuning, the kernel density integral transformation can be used as a simple drop-in replacement for either method, offering protection from the weaknesses of each. Alternatively, with tuning of a single continuous hyperparameter, we frequently outperform both of these methods. Finally, we show that the kernel density transformation can be profitably applied to statistical data analysis, particularly in correlation analysis and univariate clustering.

In this work, we consider and analyze the sample complexity of model-free reinforcement learning with a generative model. Particularly, we analyze mirror descent value iteration (MDVI) by Geist et al. (2019) and Vieillard et al. (2020a), which uses the Kullback-Leibler divergence and entropy regularization in its value and policy updates. Our analysis shows that it is nearly minimax-optimal for finding an varepsilon-optimal policy when varepsilon is sufficiently small. This is the first theoretical result that demonstrates that a simple model-free algorithm without variance-reduction can be nearly minimax-optimal under the considered setting.

KV cache quantization can improve Large Language Models (LLMs) inference throughput and latency in long contexts and large batch-size scenarios while preserving LLMs effectiveness. However, current methods have three unsolved issues: overlooking layer-wise sensitivity to KV cache quantization, high overhead of online fine-grained decision-making, and low flexibility to different LLMs and constraints. Therefore, we theoretically analyze the inherent correlation of layer-wise transformer attention patterns to KV cache quantization errors and study why key cache is generally more important than value cache for quantization error reduction. We further propose a simple yet effective framework KVTuner to adaptively search for the optimal hardware-friendly layer-wise KV quantization precision pairs for coarse-grained KV cache with multi-objective optimization and directly utilize the offline searched configurations during online inference. To reduce the computational cost of offline calibration, we utilize the intra-layer KV precision pair pruning and inter-layer clustering to reduce the search space. Experimental results show that we can achieve nearly lossless 3.25-bit mixed precision KV cache quantization for LLMs like Llama-3.1-8B-Instruct and 4.0-bit for sensitive models like Qwen2.5-7B-Instruct on mathematical reasoning tasks. The maximum inference throughput can be improved by 21.25\% compared with KIVI-KV8 quantization over various context lengths. Our code and searched configurations are available at https://github.com/cmd2001/KVTuner.

Given a matrix Min R^{mtimes n}, the low rank matrix completion problem asks us to find a rank-k approximation of M as UV^top for Uin R^{mtimes k} and Vin R^{ntimes k} by only observing a few entries specified by a set of entries Omegasubseteq [m]times [n]. In particular, we examine an approach that is widely used in practice -- the alternating minimization framework. Jain, Netrapalli and Sanghavi~jns13 showed that if M has incoherent rows and columns, then alternating minimization provably recovers the matrix M by observing a nearly linear in n number of entries. While the sample complexity has been subsequently improved~glz17, alternating minimization steps are required to be computed exactly. This hinders the development of more efficient algorithms and fails to depict the practical implementation of alternating minimization, where the updates are usually performed approximately in favor of efficiency. In this paper, we take a major step towards a more efficient and error-robust alternating minimization framework. To this end, we develop an analytical framework for alternating minimization that can tolerate moderate amount of errors caused by approximate updates. Moreover, our algorithm runs in time widetilde O(|Omega| k), which is nearly linear in the time to verify the solution while preserving the sample complexity. This improves upon all prior known alternating minimization approaches which require widetilde O(|Omega| k^2) time.

Necessary conditions for high-order optimality in smooth nonlinear constrained optimization are explored and their inherent intricacy discussed. A two-phase minimization algorithm is proposed which can achieve approximate first-, second- and third-order criticality and its evaluation complexity is analyzed as a function of the choice (among existing methods) of an inner algorithm for solving subproblems in each of the two phases. The relation between high-order criticality and penalization techniques is finally considered, showing that standard algorithmic approaches will fail if approximate constrained high-order critical points are sought.

In multi-fidelity optimization, biased approximations of varying costs of the target function are available. This paper studies the problem of optimizing a locally smooth function with a limited budget, where the learner has to make a tradeoff between the cost and the bias of these approximations. We first prove lower bounds for the simple regret under different assumptions on the fidelities, based on a cost-to-bias function. We then present the Kometo algorithm which achieves, with additional logarithmic factors, the same rates without any knowledge of the function smoothness and fidelity assumptions, and improves previously proven guarantees. We finally empirically show that our algorithm outperforms previous multi-fidelity optimization methods without the knowledge of problem-dependent parameters.

Language model alignment methods such as reinforcement learning from human feedback (RLHF) have led to impressive advances in language model capabilities, but are limited by a widely observed phenomenon known as overoptimization, where the quality of the language model degrades over the course of the alignment process. As the model optimizes performance with respect to an offline reward model, it overfits to inaccuracies and drifts away from preferred responses covered by the data. To discourage such distribution shift, KL-regularization is widely employed in existing offline alignment methods, but overoptimization continues to harm performance. Lending theoretical insight into the source of these empirical observations, we first show that the KL-regularization is too weak to prevent overfitting, then raise the following question: is it possible to design an efficient algorithm that is provably robust to overoptimization? We address this question with a new algorithm for offline alignment, χ^2-Preference Optimization (χPO). χPO is a one-line change to Direct Preference Optimization (DPO; Rafailov et al., 2023), which only involves modifying the logarithmic link function in the DPO objective. Despite this minimal change, χPO implicitly implements the principle of pessimism in the face of uncertainty via regularization with the χ^2-divergence -- which quantifies uncertainty more effectively than KL-regularization -- and provably alleviates overoptimization, achieving sample-complexity guarantees based on single-policy concentrability -- the gold standard in offline reinforcement learning. χPO's simplicity and strong guarantees make it the first practical and general-purpose offline alignment algorithm that is provably robust to overoptimization.

We study first-order methods for convex optimization problems with functions f satisfying the recently proposed ell-smoothness condition ||nabla^{2}f(x)|| le ellleft(||nabla f(x)||right), which generalizes the L-smoothness and (L_{0},L_{1})-smoothness. While accelerated gradient descent AGD is known to reach the optimal complexity O(L R / varepsilon) under L-smoothness, where varepsilon is an error tolerance and R is the distance between a starting and an optimal point, existing extensions to ell-smoothness either incur extra dependence on the initial gradient, suffer exponential factors in L_{1} R, or require costly auxiliary sub-routines, leaving open whether an AGD-type O(ell(0) R / varepsilon) rate is possible for small-varepsilon, even in the (L_{0},L_{1})-smoothness case. We resolve this open question. Leveraging a new Lyapunov function and designing new algorithms, we achieve O(ell(0) R / varepsilon) oracle complexity for small-varepsilon and virtually any ell. For instance, for (L_{0},L_{1})-smoothness, our bound O(L_0 R / varepsilon) is provably optimal in the small-varepsilon regime and removes all non-constant multiplicative factors present in prior accelerated algorithms.

Knowledge distillation is central to LLM post-training, yet its design space remains poorly understood, especially alongside reinforcement learning (RL). We show that the prevailing paradigms, off-policy distillation and on-policy distillation (OPD), implicitly couple two orthogonal choices: prefix source and token-level KL direction. This follows from decomposing sequence-level KL over autoregressive response distributions: forward KL pairs teacher prefixes with token-level forward KL, and reverse KL pairs student prefixes with token-level reverse KL. We argue this coupling is not intrinsic: decoupling the two axes yields four valid objectives. We establish gradient-level identities showing forward KL gives SFT-style cross-entropy matching with teacher soft targets, whereas reverse KL gives an RL-style policy-gradient objective with a dense teacher-student log-ratio reward, connecting them to off-policy SFT, DAgger-style on-policy SFT, offline-RL-style distillation, and OPD. We conduct an extensive controlled study on math reasoning, evaluating the four objectives both as standalone methods and as initializations for subsequent RL. The results reveal three tradeoffs: KL direction induces an accuracy-entropy tradeoff, prefix source a quality-compute tradeoff, and training length an accuracy-stability tradeoff. Motivated by these findings, we propose KL mixing and an entropy-gated length curriculum. KL mixing shows long-sequence distillation requires substantial forward-KL weight to prevent entropy collapse and length inflation without sacrificing accuracy. The entropy-gated length curriculum improves Avg@k and Pass@k by 3.6 and up to 5.8 points, and cuts average response length by roughly 3x versus fixed long-horizon training. Our results provide a framework and practical methods for designing reasoning distillation objectives that balance accuracy, diversity, compute, and RL behavior.

Recently, triple decomposition has attracted increasing attention for decomposing third-order tensors into three factor tensors. However, this approach is limited to third-order tensors and enforces uniformity in the lower dimensions across all factor tensors, which restricts its flexibility and applicability. To address these issues, we propose the Multiple decomposition, a novel framework that generalizes triple decomposition to arbitrary order tensors and allows the short dimensions of the factor tensors to differ. We establish its connections with other classical tensor decompositions. Furthermore, implicit neural representation (INR) is employed to continuously represent the factor tensors in Multiple decomposition, enabling the method to generalize to non-grid data. We refer to this INR-based Multiple decomposition as Implicit Multiple Tensor Decomposition (IMTD). Then, the Proximal Alternating Least Squares (PALS) algorithm is utilized to solve the IMTD-based tensor reconstruction models. Since the objective function in IMTD-based models often lacks the Kurdyka-Lojasiewicz (KL) property, we establish a KL-free convergence analysis for the algorithm. Finally, extensive numerical experiments further validate the effectiveness of the proposed method.

Teacher-Student Knowledge Transfer (KT) is ubiquitous in modern machine learning, ranging from classical model compression via Knowledge Distillation (KD) to the emergent phenomenon of Weak-to-Strong (W2S) generalization. While existing studies offer isolated insights, a unified theoretical framework explaining the efficacy of KT across these disparate regimes remains lacking. In this work, we establish a unified spectral analysis of SGD dynamics in high-dimensional linear regression, elucidating the efficiency of KT across seemingly disparate regimes. We characterize KT efficiency through two distinct mechanisms: Spectral Horizon Expansion in KD, which enables the capture of statistically inaccessible high-frequency signals, and Spectral Denoising in W2S, where the student acts as a filter for optimization noise. Our framework unifies these phenomena, revealing that the efficacy of transfer is governed by the interplay between implicit regularization and heterogeneous spectral learning speeds over the spectrum.

Initial boundary value problems arise commonly in applications with engineering and natural systems governed by nonlinear partial differential equations (PDEs). Operator learning is an emerging field for solving these equations by using a neural network to learn a map between infinite dimensional input and output function spaces. These neural operators are trained using a combination of data (observations or simulations) and PDE-residuals (physics-loss). A major drawback of existing neural approaches is the requirement to retrain with new initial/boundary conditions, and the necessity for a large amount of simulation data for training. We develop a physics-informed transformer neural operator (named PINTO) that efficiently generalizes to unseen initial and boundary conditions, trained in a simulation-free setting using only physics loss. The main innovation lies in our new iterative kernel integral operator units, implemented using cross-attention, to transform the PDE solution's domain points into an initial/boundary condition-aware representation vector, enabling efficient learning of the solution function for new scenarios. The PINTO architecture is applied to simulate the solutions of important equations used in engineering applications: advection, Burgers, and steady and unsteady Navier-Stokes equations (three flow scenarios). For these five test cases, we show that the relative errors during testing under challenging conditions of unseen initial/boundary conditions are only one-fifth to one-third of other leading physics informed operator learning methods. Moreover, our PINTO model is able to accurately solve the advection and Burgers equations at time steps that are not included in the training collocation points. The code is available at https://github.com/quest-lab-iisc/PINTO

Motivated by a wide variety of applications, ranging from stochastic optimization to dimension reduction through variable selection, the problem of estimating gradients accurately is of crucial importance in statistics and learning theory. We consider here the classic regression setup, where a real valued square integrable r.v. Y is to be predicted upon observing a (possibly high dimensional) random vector X by means of a predictive function f(X) as accurately as possible in the mean-squared sense and study a nearest-neighbour-based pointwise estimate of the gradient of the optimal predictive function, the regression function m(x)=E[Ymid X=x]. Under classic smoothness conditions combined with the assumption that the tails of Y-m(X) are sub-Gaussian, we prove nonasymptotic bounds improving upon those obtained for alternative estimation methods. Beyond the novel theoretical results established, several illustrative numerical experiments have been carried out. The latter provide strong empirical evidence that the estimation method proposed works very well for various statistical problems involving gradient estimation, namely dimensionality reduction, stochastic gradient descent optimization and quantifying disentanglement.

This paper introduces bucket calculus, a novel mathematical framework that fundamentally transforms the computational complexity landscape of parallel machine scheduling optimization. We address the strongly NP-hard problem P2|r_j|C_{max} through an innovative adaptive temporal discretization methodology that achieves exponential complexity reduction from O(T^n) to O(B^n) where B ll T, while maintaining near-optimal solution quality. Our bucket-indexed mixed-integer linear programming (MILP) formulation exploits dimensional complexity heterogeneity through precision-aware discretization, reducing decision variables by 94.4\% and achieving a theoretical speedup factor 2.75 times 10^{37} for 20-job instances. Theoretical contributions include partial discretization theory, fractional bucket calculus operators, and quantum-inspired mechanisms for temporal constraint modeling. Empirical validation on instances with 20--400 jobs demonstrates 97.6\% resource utilization, near-perfect load balancing (σ/μ= 0.006), and sustained performance across problem scales with optimality gaps below 5.1\%. This work represents a paradigm shift from fine-grained temporal discretization to multi-resolution precision allocation, bridging the fundamental gap between exact optimization and computational tractability for industrial-scale NP-hard scheduling problems.

It is believed that in knowledge distillation (KD), the role of the teacher is to provide an estimate for the unknown Bayes conditional probability distribution (BCPD) to be used in the student training process. Conventionally, this estimate is obtained by training the teacher using maximum log-likelihood (MLL) method. To improve this estimate for KD, in this paper we introduce the concept of conditional mutual information (CMI) into the estimation of BCPD and propose a novel estimator called the maximum CMI (MCMI) method. Specifically, in MCMI estimation, both the log-likelihood and CMI of the teacher are simultaneously maximized when the teacher is trained. Through Eigen-CAM, it is further shown that maximizing the teacher's CMI value allows the teacher to capture more contextual information in an image cluster. Via conducting a thorough set of experiments, we show that by employing a teacher trained via MCMI estimation rather than one trained via MLL estimation in various state-of-the-art KD frameworks, the student's classification accuracy consistently increases, with the gain of up to 3.32\%. This suggests that the teacher's BCPD estimate provided by MCMI method is more accurate than that provided by MLL method. In addition, we show that such improvements in the student's accuracy are more drastic in zero-shot and few-shot settings. Notably, the student's accuracy increases with the gain of up to 5.72\% when 5\% of the training samples are available to the student (few-shot), and increases from 0\% to as high as 84\% for an omitted class (zero-shot). The code is available at https://github.com/iclr2024mcmi/ICLRMCMI.

The integration of discrete algorithmic components in deep learning architectures has numerous applications. Recently, Implicit Maximum Likelihood Estimation (IMLE, Niepert, Minervini, and Franceschi 2021), a class of gradient estimators for discrete exponential family distributions, was proposed by combining implicit differentiation through perturbation with the path-wise gradient estimator. However, due to the finite difference approximation of the gradients, it is especially sensitive to the choice of the finite difference step size, which needs to be specified by the user. In this work, we present Adaptive IMLE (AIMLE), the first adaptive gradient estimator for complex discrete distributions: it adaptively identifies the target distribution for IMLE by trading off the density of gradient information with the degree of bias in the gradient estimates. We empirically evaluate our estimator on synthetic examples, as well as on Learning to Explain, Discrete Variational Auto-Encoders, and Neural Relational Inference tasks. In our experiments, we show that our adaptive gradient estimator can produce faithful estimates while requiring orders of magnitude fewer samples than other gradient estimators.

Ensembles of independently trained neural networks are a state-of-the-art approach to estimate predictive uncertainty in Deep Learning, and can be interpreted as an approximation of the posterior distribution via a mixture of delta functions. The training of ensembles relies on non-convexity of the loss landscape and random initialization of their individual members, making the resulting posterior approximation uncontrolled. This paper proposes a novel and principled method to tackle this limitation, minimizing an f-divergence between the true posterior and a kernel density estimator (KDE) in a function space. We analyze this objective from a combinatorial point of view, and show that it is submodular with respect to mixture components for any f. Subsequently, we consider the problem of greedy ensemble construction. From the marginal gain on the negative f-divergence, which quantifies an improvement in posterior approximation yielded by adding a new component into the KDE, we derive a novel diversity term for ensemble methods. The performance of our approach is demonstrated on computer vision out-of-distribution detection benchmarks in a range of architectures trained on multiple datasets. The source code of our method is made publicly available at https://github.com/Oulu-IMEDS/greedy_ensembles_training.

The k-means++ seeding algorithm (Arthur & Vassilvitskii, 2007) is widely used in practice for the k-means clustering problem where the goal is to cluster a dataset X subset R ^d into k clusters. The popularity of this algorithm is due to its simplicity and provable guarantee of being O(log k) competitive with the optimal solution in expectation. However, its running time is O(|X|kd), making it expensive for large datasets. In this work, we present a simple and effective rejection sampling based approach for speeding up k-means++. Our first method runs in time O(nnz (X) + beta k^2d) while still being O(log k ) competitive in expectation. Here, beta is a parameter which is the ratio of the variance of the dataset to the optimal k-means cost in expectation and O hides logarithmic factors in k and |X|. Our second method presents a new trade-off between computational cost and solution quality. It incurs an additional scale-invariant factor of k^{-Omega( m/beta)} Var (X) in addition to the O(log k) guarantee of k-means++ improving upon a result of (Bachem et al, 2016a) who get an additional factor of m^{-1}Var(X) while still running in time O(nnz(X) + mk^2d). We perform extensive empirical evaluations to validate our theoretical results and to show the effectiveness of our approach on real datasets.

Gradient methods have become mainstream techniques for Bi-Level Optimization (BLO) in learning fields. The validity of existing works heavily rely on either a restrictive Lower- Level Strong Convexity (LLSC) condition or on solving a series of approximation subproblems with high accuracy or both. In this work, by averaging the upper and lower level objectives, we propose a single loop Bi-level Averaged Method of Multipliers (sl-BAMM) for BLO that is simple yet efficient for large-scale BLO and gets rid of the limited LLSC restriction. We further provide non-asymptotic convergence analysis of sl-BAMM towards KKT stationary points, and the comparative advantage of our analysis lies in the absence of strong gradient boundedness assumption, which is always required by others. Thus our theory safely captures a wider variety of applications in deep learning, especially where the upper-level objective is quadratic w.r.t. the lower-level variable. Experimental results demonstrate the superiority of our method.

We address the computational challenges of solving parametric PDEs with non parametrized geometric variations and non-reducible problems, such as those involving shocks and discontinuities of variable positions. Traditional dimensionality reduction methods like POD struggle with these scenarios due to slowly decaying Kolmogorov widths. To overcome this, we propose a novel non-linear dimensionality reduction technique to reduce the required modes for representation. The non-linear reduction is obtained through a POD after applying a transformation on the fields, which we call optimal mappings, and is a solution to an optimization problem in infinite dimension. The proposed learning framework combines morphing techniques, non-linear dimensionality reduction, and Gaussian Process Regression (GPR). The problem is reformulated on a reference geometry before applying the dimensionality reduction. Our method learns both the optimal mapping, and the solution fields, using a series of GPR models, enabling efficient and accurate modeling of complex parametric PDEs with geometrical variability. The results obtained concur with current state-of-the-art models. We mainly compare our method with the winning solution of the ML4CFD NeurIPS 2024 competition.

We study the deterministic global optimization of trained Gaussian process posterior mean functions over hyperrectangular domains. Although the posterior mean function has a compact closed-form representation, its global optimization is challenging because it remains nonlinear and nonconvex. Existing exact deterministic approaches become increasingly difficult to scale as the number of training data points grows, leading to approximation-based methods that improve tractability by optimizing a modified (inexact) objective. In this work, we propose PALM-Mean, a piecewise-analytic lower-bounding framework embedded in reduced-space spatial branch-and-bound. At each node, kernel terms that are locally important are replaced by a sign-aware piecewise-linear relaxation in an appropriate scalar distance variable, while the remaining terms are bounded analytically in closed form. We show this hybrid approach yields a valid lower bound for the posterior mean, while limiting the size of the branch-and-bound subproblems. We establish validity of the node lower bounds and varepsilon-global convergence of the resulting algorithm. Computational results on synthetic benchmarks and real-world application problems show that PALM-Mean improves scalability relative to representative general-purpose deterministic global solvers, particularly as the number of training data points increases.

Hyperparameter tuning almost always means search: fit the model at every value on a grid, score each by cross-validation, and keep the winner. For spline regression that search is unnecessary. The optimal resolution can be solved for in closed form, to the accuracy an exhaustive search reaches, at a fraction of the compute. Three ingredients make this possible: classical approximation theory pins the squared bias to a known power of the resolution G, exactly the Kolmogorov n-width of the smoothness class; the basis dimension is an explicit polynomial in G; and leave-one-out error follows from a single fit via the PRESS identity. Balancing the two known curves gives the minimizer analytically. We extend this calculus to many coordinates by replacing ambient input dimension with interaction order, the number of active low-order components in an ANOVA decomposition, yielding a scaling law in which the optimal resolution and error are power functions of the effective density (sample size per active component), with input dimension absent from the exponent. The law becomes an algorithm. KORE (Kolmogorov-optimal Order-aware Resolution Estimation) fits two pilot resolutions, solves a leverage-calibrated 2x2 system for the bias and noise scales, and evaluates the closed-form plug-in resolution with a tiny leave-one-out certificate: about a dozen fits instead of a full grid sweep, with a consistency guarantee as the sample grows. Across additive and sparse pairwise targets up to 80 input dimensions, KORE matches exhaustive 3-fold cross-validation and the full classical ladder (GCV, Mallows' Cp, AIC, BIC) while fitting roughly 8x fewer models; on 36 real tabular datasets it ranks first among 21 methods in accuracy per unit of compute, ahead of tuned boosters and kernel machines. When complexity lives in low interaction order, solving for the resolution beats searching for it.

Integer Linear Programs (ILPs) are powerful tools for modeling and solving a large number of combinatorial optimization problems. Recently, it has been shown that Large Neighborhood Search (LNS), as a heuristic algorithm, can find high quality solutions to ILPs faster than Branch and Bound. However, how to find the right heuristics to maximize the performance of LNS remains an open problem. In this paper, we propose a novel approach, CL-LNS, that delivers state-of-the-art anytime performance on several ILP benchmarks measured by metrics including the primal gap, the primal integral, survival rates and the best performing rate. Specifically, CL-LNS collects positive and negative solution samples from an expert heuristic that is slow to compute and learns a new one with a contrastive loss. We use graph attention networks and a richer set of features to further improve its performance.

Lagrangian Relaxation (LR) is a powerful technique for solving large-scale Mixed Integer Linear Programming (MILP), particularly those with decomposable structures, such as vehicle routing or unit commitment problems. By relaxing the coupling constraints, LR enables parallel subproblem solving and often yields tighter dual bounds than standard linear programming relaxations, which is crucial for efficient branch-and-bound pruning. While recent empirical work has shown promising results using machine learning to predict these multipliers, a theoretical understanding of such methods remains an open question. In this work, we bridge this gap by analyzing the problem of learning LR through the lens of Data-driven Algorithm Design, i.e., a statistical learning problem over a distribution of problem instances. Our contributions are as follows: first, we derive a generalization bound of O(s^{1.5}/N) for the learned multipliers, where s is the number of coupling constraints and N is the sample size. Second, we provide a minimax lower-bound of Ω(s/N), proving that a linear dependency is unavoidable. Third, we constructively close this theoretical gap by proving that Stochastic Gradient Ascent (SGA) with averaging achieves the minimax optimal rate Θ(s/N). Finally, we extend our framework to the learning-to-warm-start setting, proving that it achieves a fast, minimax-optimal rate of Θ(s/N) and establishing a theoretical advantage over direct multiplier prediction.

The controllable generation of diffusion models aims to steer the model to generate samples that optimize some given objective functions. It is desirable for a variety of applications including image generation, molecule generation, and DNA/sequence generation. Reinforcement Learning (RL) based fine-tuning of the base model is a popular approach but it can overfit the reward function while requiring significant resources. We frame controllable generation as a problem of finding a distribution that optimizes a KL-regularized objective function. We present SLCD -- Supervised Learning based Controllable Diffusion, which iteratively generates online data and trains a small classifier to guide the generation of the diffusion model. Similar to the standard classifier-guided diffusion, SLCD's key computation primitive is classification and does not involve any complex concepts from RL or control. Via a reduction to no-regret online learning analysis, we show that under KL divergence, the output from SLCD provably converges to the optimal solution of the KL-regularized objective. Further, we empirically demonstrate that SLCD can generate high quality samples with nearly the same inference time as the base model in both image generation with continuous diffusion and biological sequence generation with discrete diffusion. Our code is available at https://github.com/Owen-Oertell/slcd

Top-k decoding is a widely used method for sampling from LLMs: at each token, only the largest k next-token-probabilities are kept, and the next token is sampled after re-normalizing them to sum to unity. Top-k and other sampling methods are motivated by the intuition that true next-token distributions are sparse, and the noisy LLM probabilities need to be truncated. However, to our knowledge, a precise theoretical motivation for the use of top-k decoding is missing. In this work, we develop a theoretical framework that both explains and generalizes top-k decoding. We view decoding at a fixed token as the recovery of a sparse probability distribution. We consider Bregman decoders obtained by minimizing a separable Bregman divergence (for both the primal and dual cases) with a sparsity-inducing ell_0 regularization. Despite the combinatorial nature of the objective, we show how to optimize it efficiently for a large class of divergences. We show that the optimal decoding strategies are greedy, and further that the loss function is discretely convex in k, so that binary search provably and efficiently finds the optimal k. We show that top-k decoding arises as a special case for the KL divergence, and identify new decoding strategies that have distinct behaviors (e.g., non-linearly up-weighting larger probabilities after re-normalization).

We study the sparse recovery problem with an underdetermined linear system characterized by a Kronecker-structured dictionary and a Kronecker-supported sparse vector. We cast this problem into the sparse Bayesian learning (SBL) framework and rely on the expectation-maximization method for a solution. To this end, we model the Kronecker-structured support with a hierarchical Gaussian prior distribution parameterized by a Kronecker-structured hyperparameter, leading to a non-convex optimization problem. The optimization problem is solved using the alternating minimization (AM) method and a singular value decomposition (SVD)-based method, resulting in two algorithms. Further, we analytically guarantee that the AM-based method converges to the stationary point of the SBL cost function. The SVD-based method, though it adopts approximations, is empirically shown to be more efficient and accurate. We then apply our algorithm to estimate the uplink wireless channel in an intelligent reflecting surface-aided MIMO system and extend the AM-based algorithm to address block sparsity in the channel. We also study the SBL cost to show that the minima of the cost function are achieved at sparse solutions and that incorporating the Kronecker structure reduces the number of local minima of the SBL cost function. Our numerical results demonstrate the effectiveness of our algorithms compared to the state-of-the-art.

Kolmogorov-Arnold networks (KANs) have a dimension-independent approximation exponent when the target admits a sufficiently smooth representation by univariate edge functions. We ask whether this favorable scaling belongs to the architecture or to the assumed target class. For arbitrary-depth standard spline-KANs, we prove a worst-case lower bound on isotropic Sobolev balls: below a dimension-independent accuracy threshold, the required number of spline coefficients grows at least exponentially with input dimension. Existing composition-matched MLP results, by contrast, show that favorable exponents on low-arity targets are not exclusive to KANs. We also revisit empirical comparisons. On four scaling-law targets, spline-KAN approximants constructed from known decompositions transfer exactly to MLPs with the cubic ReLU activation σ(x)=(max{0,x})^3, although their full dense parameter counts are larger. In controlled ridge-profile scans, KANs have a strong advantage when each nonlinear component depends on one input coordinate. When a component couples multiple input coordinates, this advantage may narrow sharply. At tight budgets, interacting targets often favor MLPs. In the random-label test on MNIST, ReLU-MLPs fit the randomized training labels more efficiently than spline-only KANs. Together, these results locate favorable scaling in target structure and a compatible inductive bias, not a general KAN-specific escape from the curse of dimensionality.

Expensive multi-objective optimization problems (EMOPs) are common in real-world scenarios where evaluating objective functions is costly and involves extensive computations or physical experiments. Current Pareto set learning methods for such problems often rely on surrogate models like Gaussian processes to approximate the objective functions. These surrogate models can become fragmented, resulting in numerous small uncertain regions between explored solutions. When using acquisition functions such as the Lower Confidence Bound (LCB), these uncertain regions can turn into pseudo-local optima, complicating the search for globally optimal solutions. To address these challenges, we propose a novel approach called SVH-PSL, which integrates Stein Variational Gradient Descent (SVGD) with Hypernetworks for efficient Pareto set learning. Our method addresses the issues of fragmented surrogate models and pseudo-local optima by collectively moving particles in a manner that smooths out the solution space. The particles interact with each other through a kernel function, which helps maintain diversity and encourages the exploration of underexplored regions. This kernel-based interaction prevents particles from clustering around pseudo-local optima and promotes convergence towards globally optimal solutions. Our approach aims to establish robust relationships between trade-off reference vectors and their corresponding true Pareto solutions, overcoming the limitations of existing methods. Through extensive experiments across both synthetic and real-world MOO benchmarks, we demonstrate that SVH-PSL significantly improves the quality of the learned Pareto set, offering a promising solution for expensive multi-objective optimization problems.

Let p denote a generative language model. Let r denote a reward model that returns a scalar that captures the degree at which a draw from p is preferred. The goal of language model alignment is to alter p to a new distribution phi that results in a higher expected reward while keeping phi close to p. A popular alignment method is the KL-constrained reinforcement learning (RL), which chooses a distribution phi_Delta that maximizes E_{phi_{Delta}} r(y) subject to a relative entropy constraint KL(phi_Delta || p) leq Delta. Another simple alignment method is best-of-N, where N samples are drawn from p and one with highest reward is selected. In this paper, we offer a closed-form characterization of the optimal KL-constrained RL solution. We demonstrate that any alignment method that achieves a comparable trade-off between KL divergence and reward must approximate the optimal KL-constrained RL solution in terms of relative entropy. To further analyze the properties of alignment methods, we introduce two simplifying assumptions: we let the language model be memoryless, and the reward model be linear. Although these assumptions may not reflect complex real-world scenarios, they enable a precise characterization of the asymptotic behavior of both the best-of-N alignment, and the KL-constrained RL method, in terms of information-theoretic quantities. We prove that the reward of the optimal KL-constrained RL solution satisfies a large deviation principle, and we fully characterize its rate function. We also show that the rate of growth of the scaled cumulants of the reward is characterized by a proper Renyi cross entropy. Finally, we show that best-of-N is asymptotically equivalent to KL-constrained RL solution by proving that their expected rewards are asymptotically equal, and concluding that the two distributions must be close in KL divergence.

Reinforcement learning for large language models faces a fundamental trade-off between sample efficiency and asymptotic performance: strictly on-policy methods discard trajectories after a single update, while off-policy reuse introduces distribution mismatch that existing trust-region techniques mitigate primarily by enforcing conservative optimization, often leaving rich training signals underutilized. To investigate this, we perform extensive off-policy updates on fixed data. Our experiments reveal that aggressive multi-step optimization brings rapid initial gains, but excessive updates cause trajectory probabilities to deviate and entropy to collapse, with performance plateauing early. Tightening KL constraints merely lowers the ceiling without resolving the degradation. This motivates Extreme Region Policy Distillation (ERPD), a two-stage framework that decouples sample efficiency from KL efficiency. The first stage performs weakly constrained off-policy optimization on fixed data to maximally extract training signals. The resulting policy provides token-level supervision. In the second stage, we distill these signals into the base policy under trust-region constraints, filtering harmful drift while preserving useful signals. The distilled policy achieves comparable or better performance with substantially smaller KL divergence, indicating that much of the first-stage divergence was spent on unnecessary drift rather than genuine improvement. Crucially, ERPD accommodates both strong and weak teachers: when aggressive optimization yields no stronger policy, even degenerate teachers provide effective supervision via alternative signal construction strategies. We validate ERPD on mathematical reasoning, showing gains for strong base models where on-policy training plateaus, and reliable improvements with weak teachers.

The goal of this paper is to revisit Kernel Principal Component Analysis (KPCA) through dualization of a difference of convex functions. This allows to naturally extend KPCA to multiple objective functions and leads to efficient gradient-based algorithms avoiding the expensive SVD of the Gram matrix. Particularly, we consider objective functions that can be written as Moreau envelopes, demonstrating how to promote robustness and sparsity within the same framework. The proposed method is evaluated on synthetic and real-world benchmarks, showing significant speedup in KPCA training time as well as highlighting the benefits in terms of robustness and sparsity.

Optimizing the Key-Value (KV) cache of the Large Language Model (LLM) has been considered critical to saving the cost of inference. Most of the existing KV-cache compression algorithms attempted to sparsify the sequence of tokens by taking advantage of the different importance of tokens. In this work, we found that by identifying the importance of attention layers, we could optimize the KV-cache jointly from two dimensions. Based on our observations regarding layer-wise importance in inference, we propose SqueezeAttention to precisely optimize the allocation of KV-cache budget among layers on-the-fly and then incorporate three representative token sparsification algorithms to compress the KV-cache for each layer with its very own budget. By optimizing the KV-cache from both sequence's and layer's dimensions, SqueezeAttention achieves around 30% to 70% of the memory reductions and up to 2.2 times of throughput improvements in a wide range of LLMs and benchmarks. The code is available at https://github.com/hetailang/SqueezeAttention.

We analyse three KV cache quantization schemes under a fair bit budget: KV (scalar MSE baseline), KQV (WHT + MSE on K; WHT + MSE + QJL on V), and QKQV (WHT + MSE + QJL on both). Starting from the Beta distribution on the hypersphere, we trace how QJL on K inflates inner product variance by π/2, which softmax amplifies nonlinearly via Jensen's inequality, and we present statistical inference and information metrics to highlight practical differences. Three empirical findings emerge. (1)~At n=4 (the practically dominant budget), KQV wins on every measure -- KL divergence, geometric K error, and 6D distance -- across all distributions and ranks tested. (2)~The K--V asymmetry is unconditional: QKQV is consistently worse than KQV in KL divergence at every budget and distribution. (3)~A budget-dependent crossover exists: QKQV achieves better geometric K reconstruction at n in {2,3,5}, KQV at n in {4,6}, invariant to rank and tail weight -- an open rate-distortion problem. KL(p_{ref} | p_{quant}), K-only by construction, bridges K direction error to routing corruption and output collapse. We present a sufficient condition when the Jensen mechanism amplifies superlinearly through the softmax. At n in {2,3,5}, QKQV wins geometrically because this assumption does not bind. At n=4, elevated K error and KL divergence for QKQV strongly suggest the Jensen mechanism is the operative cause of the crossover, providing a new perspective and explanation.

Despite the recent advances in the field of computational Schr\"odinger Bridges (SB), most existing SB solvers are still heavy-weighted and require complex optimization of several neural networks. It turns out that there is no principal solver which plays the role of simple-yet-effective baseline for SB just like, e.g., k-means method in clustering, logistic regression in classification or Sinkhorn algorithm in discrete optimal transport. We address this issue and propose a novel fast and simple SB solver. Our development is a smart combination of two ideas which recently appeared in the field: (a) parameterization of the Schr\"odinger potentials with sum-exp quadratic functions and (b) viewing the log-Schr\"odinger potentials as the energy functions. We show that combined together these ideas yield a lightweight, simulation-free and theoretically justified SB solver with a simple straightforward optimization objective. As a result, it allows solving SB in moderate dimensions in a matter of minutes on CPU without a painful hyperparameter selection. Our light solver resembles the Gaussian mixture model which is widely used for density estimation. Inspired by this similarity, we also prove an important theoretical result showing that our light solver is a universal approximator of SBs. Furthemore, we conduct the analysis of the generalization error of our light solver. The code for our solver can be found at https://github.com/ngushchin/LightSB

Gaussian processes (GPs) stand as crucial tools in machine learning and signal processing, with their effectiveness hinging on kernel design and hyper-parameter optimization. This paper presents a novel GP linear multiple kernel (LMK) and a generic sparsity-aware distributed learning framework to optimize the hyper-parameters. The newly proposed grid spectral mixture product (GSMP) kernel is tailored for multi-dimensional data, effectively reducing the number of hyper-parameters while maintaining good approximation capability. We further demonstrate that the associated hyper-parameter optimization of this kernel yields sparse solutions. To exploit the inherent sparsity of the solutions, we introduce the Sparse LInear Multiple Kernel Learning (SLIM-KL) framework. The framework incorporates a quantized alternating direction method of multipliers (ADMM) scheme for collaborative learning among multiple agents, where the local optimization problem is solved using a distributed successive convex approximation (DSCA) algorithm. SLIM-KL effectively manages large-scale hyper-parameter optimization for the proposed kernel, simultaneously ensuring data privacy and minimizing communication costs. Theoretical analysis establishes convergence guarantees for the learning framework, while experiments on diverse datasets demonstrate the superior prediction performance and efficiency of our proposed methods.

Policy gradient algorithms have been successfully applied to enhance the reasoning capabilities of large language models (LLMs). Despite the widespread use of Kullback-Leibler (KL) regularization in policy gradient algorithms to stabilize training, the systematic exploration of how different KL divergence formulations can be estimated and integrated into surrogate loss functions for online reinforcement learning (RL) presents a nuanced and systematically explorable design space. In this paper, we propose regularized policy gradient (RPG), a systematic framework for deriving and analyzing KL-regularized policy gradient methods in the online RL setting. We derive policy gradients and corresponding surrogate loss functions for objectives regularized by both forward and reverse KL divergences, considering both normalized and unnormalized policy distributions. Furthermore, we present derivations for fully differentiable loss functions as well as REINFORCE-style gradient estimators, accommodating diverse algorithmic needs. We conduct extensive experiments on RL for LLM reasoning using these methods, showing improved or competitive results in terms of training stability and performance compared to strong baselines such as GRPO, REINFORCE++, and DAPO. The code is available at https://github.com/complex-reasoning/RPG.

The rapid development of generative models has significantly advanced image and video applications. Among these, video creation, aimed at generating videos under various conditions, has gained substantial attention. However, existing video creation models either focus solely on a few specific conditions or suffer from excessively long generation times due to complex model inference, making them impractical for real-world applications. To mitigate these issues, we propose an efficient unified video creation model, named VDOT. Concretely, we model the training process with the distribution matching distillation (DMD) paradigm. Instead of using the Kullback-Leibler (KL) minimization, we additionally employ a novel computational optimal transport (OT) technique to optimize the discrepancy between the real and fake score distributions. The OT distance inherently imposes geometric constraints, mitigating potential zero-forcing or gradient collapse issues that may arise during KL-based distillation within the few-step generation scenario, and thus, enhances the efficiency and stability of the distillation process. Further, we integrate a discriminator to enable the model to perceive real video data, thereby enhancing the quality of generated videos. To support training unified video creation models, we propose a fully automated pipeline for video data annotation and filtering that accommodates multiple video creation tasks. Meanwhile, we curate a unified testing benchmark, UVCBench, to standardize evaluation. Experiments demonstrate that our 4-step VDOT outperforms or matches other baselines with 100 denoising steps.

Popular machine learning approaches forgo second-order information due to the difficulty of computing curvature in high dimensions. We present FOSI, a novel meta-algorithm that improves the performance of any base first-order optimizer by efficiently incorporating second-order information during the optimization process. In each iteration, FOSI implicitly splits the function into two quadratic functions defined on orthogonal subspaces, then uses a second-order method to minimize the first, and the base optimizer to minimize the other. We formally analyze FOSI's convergence and the conditions under which it improves a base optimizer. Our empirical evaluation demonstrates that FOSI improves the convergence rate and optimization time of first-order methods such as Heavy-Ball and Adam, and outperforms second-order methods (K-FAC and L-BFGS).

Deep neural networks (DNNs) exhibit an exceptional capacity for generalization in practical applications. This work aims to capture the effect and benefits of depth for supervised learning via information-theoretic generalization bounds. We first derive two hierarchical bounds on the generalization error in terms of the Kullback-Leibler (KL) divergence or the 1-Wasserstein distance between the train and test distributions of the network internal representations. The KL divergence bound shrinks as the layer index increases, while the Wasserstein bound implies the existence of a layer that serves as a generalization funnel, which attains a minimal 1-Wasserstein distance. Analytic expressions for both bounds are derived under the setting of binary Gaussian classification with linear DNNs. To quantify the contraction of the relevant information measures when moving deeper into the network, we analyze the strong data processing inequality (SDPI) coefficient between consecutive layers of three regularized DNN models: Dropout, DropConnect, and Gaussian noise injection. This enables refining our generalization bounds to capture the contraction as a function of the network architecture parameters. Specializing our results to DNNs with a finite parameter space and the Gibbs algorithm reveals that deeper yet narrower network architectures generalize better in those examples, although how broadly this statement applies remains a question.

The seminal Fast Johnson-Lindenstrauss (Fast JL) transform by Ailon and Chazelle (SICOMP'09) embeds a set of n points in d-dimensional Euclidean space into optimal k=O(varepsilon^{-2} ln n) dimensions, while preserving all pairwise distances to within a factor (1 pm varepsilon). The Fast JL transform supports computing the embedding of a data point in O(d ln d +k ln^2 n) time, where the d ln d term comes from multiplication with a d times d Hadamard matrix and the k ln^2 n term comes from multiplication with a sparse k times d matrix. Despite the Fast JL transform being more than a decade old, it is one of the fastest dimensionality reduction techniques for many tradeoffs between varepsilon, d and n. In this work, we give a surprising new analysis of the Fast JL transform, showing that the k ln^2 n term in the embedding time can be improved to (k ln^2 n)/alpha for an alpha = Omega(min{varepsilon^{-1}ln(1/varepsilon), ln n}). The improvement follows by using an even sparser matrix. We also complement our improved analysis with a lower bound showing that our new analysis is in fact tight.

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

As the field of representation learning grows, there has been a proliferation of different loss functions to solve different classes of problems. We introduce a single information-theoretic equation that generalizes a large collection of modern loss functions in machine learning. In particular, we introduce a framework that shows that several broad classes of machine learning methods are precisely minimizing an integrated KL divergence between two conditional distributions: the supervisory and learned representations. This viewpoint exposes a hidden information geometry underlying clustering, spectral methods, dimensionality reduction, contrastive learning, and supervised learning. This framework enables the development of new loss functions by combining successful techniques from across the literature. We not only present a wide array of proofs, connecting over 23 different approaches, but we also leverage these theoretical results to create state-of-the-art unsupervised image classifiers that achieve a +8% improvement over the prior state-of-the-art on unsupervised classification on ImageNet-1K. We also demonstrate that I-Con can be used to derive principled debiasing methods which improve contrastive representation learners.

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

This paper presents Dual Lagrangian Learning (DLL), a principled learning methodology for dual conic optimization proxies. DLL leverages conic duality and the representation power of ML models to provide high-duality, dual-feasible solutions, and therefore valid Lagrangian dual bounds, for linear and nonlinear conic optimization problems. The paper introduces a systematic dual completion procedure, differentiable conic projection layers, and a self-supervised learning framework based on Lagrangian duality. It also provides closed-form dual completion formulae for broad classes of conic problems, which eliminate the need for costly implicit layers. The effectiveness of DLL is demonstrated on linear and nonlinear conic optimization problems. The proposed methodology significantly outperforms a state-of-the-art learning-based method, and achieves 1000x speedups over commercial interior-point solvers with optimality gaps under 0.5\% on average.

In this paper we provide an O(m (log log n)^{O(1)} log(1/ε))-expected time algorithm for solving Laplacian systems on n-node m-edge graphs, improving improving upon the previous best expected runtime of O(m log n (log log n)^{O(1)} log(1/ε)) achieved by (Cohen, Kyng, Miller, Pachocki, Peng, Rao, Xu 2014). To obtain this result we provide efficient constructions of ell_p-stretch graph approximations with improved stretch and sparsity bounds. Additionally, as motivation for this work, we show that for every set of vectors in R^d (not just those induced by graphs) and all k > 1 there exist ultrasparsifiers with d-1 + O(d/k) re-weighted vectors of relative condition number at most k. For small k, this improves upon the previous best known relative condition number of O(k log d), which is only known for the graph case.

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

A simple and effective method for the alignment of generative models is the best-of-n policy, where n samples are drawn from a base policy, and ranked based on a reward function, and the highest ranking one is selected. A commonly used analytical expression in the literature claims that the KL divergence between the best-of-n policy and the base policy is equal to log (n) - (n-1)/n. We disprove the validity of this claim, and show that it is an upper bound on the actual KL divergence. We also explore the tightness of this upper bound in different regimes. Finally, we propose a new estimator for the KL divergence and empirically show that it provides a tight approximation through a few examples.

This paper focuses on the problem of constrained stochastic optimization. A zeroth order Frank-Wolfe algorithm is proposed, which in addition to the projection-free nature of the vanilla Frank-Wolfe algorithm makes it gradient free. Under convexity and smoothness assumption, we show that the proposed algorithm converges to the optimal objective function at a rate Oleft(1/T^{1/3}right), where T denotes the iteration count. In particular, the primal sub-optimality gap is shown to have a dimension dependence of Oleft(d^{1/3}right), which is the best known dimension dependence among all zeroth order optimization algorithms with one directional derivative per iteration. For non-convex functions, we obtain the Frank-Wolfe gap to be Oleft(d^{1/3}T^{-1/4}right). Experiments on black-box optimization setups demonstrate the efficacy of the proposed algorithm.

Construction of ambiguity set in robust optimization relies on the choice of divergences between probability distributions. In distribution learning, choosing appropriate probability distributions based on observed data is critical for approximating the true distribution. To improve the performance of machine learning models, there has recently been interest in designing objective functions based on Lp-Wasserstein distance rather than the classical Kullback-Leibler (KL) divergence. In this paper, we derive concentration and asymptotic results using Bregman divergence. We propose a novel asymmetric statistical divergence called Wasserstein-Bregman divergence as a generalization of L2-Wasserstein distance. We discuss how these results can be applied to the construction of ambiguity set in robust optimization.

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

As first-order optimization methods become the method of choice for solving large-scale optimization problems, optimization solvers based on first-order algorithms are being built. Such general-purpose solvers must robustly detect infeasible or misspecified problem instances, but the computational complexity of first-order methods for doing so has yet to be formally studied. In this work, we characterize the optimal accelerated rate of infeasibility detection. We show that the standard fixed-point iteration achieves a O(1/k^2) and O(1/k) rates, respectively, on the normalized iterates and the fixed-point residual converging to the infimal displacement vector, while the accelerated fixed-point iteration achieves O(1/k^2) and mathcal{O}(1/k^2) rates. We then provide a matching complexity lower bound to establish that Theta(1/k^2) is indeed the optimal accelerated rate.

We present Kernel Point Convolution (KPConv), a new design of point convolution, i.e. that operates on point clouds without any intermediate representation. The convolution weights of KPConv are located in Euclidean space by kernel points, and applied to the input points close to them. Its capacity to use any number of kernel points gives KPConv more flexibility than fixed grid convolutions. Furthermore, these locations are continuous in space and can be learned by the network. Therefore, KPConv can be extended to deformable convolutions that learn to adapt kernel points to local geometry. Thanks to a regular subsampling strategy, KPConv is also efficient and robust to varying densities. Whether they use deformable KPConv for complex tasks, or rigid KPconv for simpler tasks, our networks outperform state-of-the-art classification and segmentation approaches on several datasets. We also offer ablation studies and visualizations to provide understanding of what has been learned by KPConv and to validate the descriptive power of deformable KPConv.

The core learning signal used in language model distillation is the standard Kullback-Leibler (KL) divergence between the student and teacher distributions. Traditional KL divergence tends to be dominated by the next tokens with the highest probabilities, i.e., the teacher's modes, thereby diminishing the influence of less probable yet potentially informative components of the output distribution. We propose a new tail-aware divergence that decouples the contribution of the teacher model's top-K predicted probabilities from that of lower-probability predictions, while maintaining the same computational profile as the KL Divergence. Our decoupled approach reduces the impact of the teacher modes and, consequently, increases the contribution of the tail of the distribution. Experimental results demonstrate that our modified distillation method yields competitive performance in both pre-training and supervised distillation of decoder models across various datasets. Furthermore, the distillation process is efficient and can be performed with a modest academic budget for large datasets, eliminating the need for industry-scale computing.

Transformers stand as the cornerstone of mordern deep learning. Traditionally, these models rely on multi-layer perceptron (MLP) layers to mix the information between channels. In this paper, we introduce the Kolmogorov-Arnold Transformer (KAT), a novel architecture that replaces MLP layers with Kolmogorov-Arnold Network (KAN) layers to enhance the expressiveness and performance of the model. Integrating KANs into transformers, however, is no easy feat, especially when scaled up. Specifically, we identify three key challenges: (C1) Base function. The standard B-spline function used in KANs is not optimized for parallel computing on modern hardware, resulting in slower inference speeds. (C2) Parameter and Computation Inefficiency. KAN requires a unique function for each input-output pair, making the computation extremely large. (C3) Weight initialization. The initialization of weights in KANs is particularly challenging due to their learnable activation functions, which are critical for achieving convergence in deep neural networks. To overcome the aforementioned challenges, we propose three key solutions: (S1) Rational basis. We replace B-spline functions with rational functions to improve compatibility with modern GPUs. By implementing this in CUDA, we achieve faster computations. (S2) Group KAN. We share the activation weights through a group of neurons, to reduce the computational load without sacrificing performance. (S3) Variance-preserving initialization. We carefully initialize the activation weights to make sure that the activation variance is maintained across layers. With these designs, KAT scales effectively and readily outperforms traditional MLP-based transformers.

In this paper, we find a sample complexity bound for learning a simplex from noisy samples. Assume a dataset of size n is given which includes i.i.d. samples drawn from a uniform distribution over an unknown simplex in R^K, where samples are assumed to be corrupted by a multi-variate additive Gaussian noise of an arbitrary magnitude. We prove the existence of an algorithm that with high probability outputs a simplex having a ell_2 distance of at most varepsilon from the true simplex (for any varepsilon>0). Also, we theoretically show that in order to achieve this bound, it is sufficient to have ngeleft(K^2/varepsilon^2right)e^{Omegaleft(K/SNR^2right)} samples, where SNR stands for the signal-to-noise ratio. This result solves an important open problem and shows as long as SNRgeOmegaleft(K^{1/2}right), the sample complexity of the noisy regime has the same order to that of the noiseless case. Our proofs are a combination of the so-called sample compression technique in ashtiani2018nearly, mathematical tools from high-dimensional geometry, and Fourier analysis. In particular, we have proposed a general Fourier-based technique for recovery of a more general class of distribution families from additive Gaussian noise, which can be further used in a variety of other related problems.

Although upper bound guarantees for bilevel optimization have been widely studied, progress on lower bounds has been limited due to the complexity of the bilevel structure. In this work, we focus on the smooth nonconvex-strongly-convex setting and develop new hard instances that yield nontrivial lower bounds under deterministic and stochastic first-order oracle models. In the deterministic case, we prove that any first-order zero-respecting algorithm requires at least Ω(κ^{3/2}ε^{-2}) oracle calls to find an ε-accurate stationary point, improving the optimal lower bounds known for single-level nonconvex optimization and for nonconvex-strongly-convex min-max problems. In the stochastic case, we show that at least Ω(κ^{5/2}ε^{-4}) stochastic oracle calls are necessary, again strengthening the best known bounds in related settings. Our results expose substantial gaps between current upper and lower bounds for bilevel optimization and suggest that even simplified regimes, such as those with quadratic lower-level objectives, warrant further investigation toward understanding the optimal complexity of bilevel optimization under standard first-order oracles.

This work proposes a Momentum-Enabled Kronecker-Factor-Based Optimizer Using Rank-1 updates, called MKOR, that improves the training time and convergence properties of deep neural networks (DNNs). Second-order techniques, while enjoying higher convergence rates vs first-order counterparts, have cubic complexity with respect to either the model size and/or the training batch size. Hence they exhibit poor scalability and performance in transformer models, e.g. large language models (LLMs), because the batch sizes in these models scale by the attention mechanism sequence length, leading to large model size and batch sizes. MKOR's complexity is quadratic with respect to the model size, alleviating the computation bottlenecks in second-order methods. Because of their high computation complexity, state-of-the-art implementations of second-order methods can only afford to update the second order information infrequently, and thus do not fully exploit the promise of better convergence from these updates. By reducing the communication complexity of the second-order updates as well as achieving a linear communication complexity, MKOR increases the frequency of second order updates. We also propose a hybrid version of MKOR (called MKOR-H) that mid-training falls backs to a first order optimizer if the second order updates no longer accelerate convergence. Our experiments show that MKOR outperforms state -of-the-art first order methods, e.g. the LAMB optimizer, and best implementations of second-order methods, i.e. KAISA/KFAC, up to 2.57x and 1.85x respectively on BERT-Large-Uncased on 64 GPUs.

Diffusion Flow Matching (DFM) has recently emerged as a versatile framework for generative modeling, yet its theoretical convergence properties remain only partially understood. In this work, we provide refined and novel convergence guarantees for Brownian motion based DFMs, focusing on the discretization error. Our analysis is conducted under the Kullback-Leibler (KL) divergence and the 2-Wasserstein distance. Under finite-moment conditions and a mild score integrability assumption, we derive KL convergence bounds with improved dimensional dependence compared to prior work, achieving, up to our knowledge, state-of-the-art scaling under minimal conditions. We further extend the analysis to the 2-Wasserstein distance: under an additional first-order score integrability assumption and a weak log-concavity condition, we obtain convergence guarantees with dimensional dependence consistent with the KL case.

We introduce a new family of particle evolution samplers suitable for constrained domains and non-Euclidean geometries. Stein Variational Mirror Descent and Mirrored Stein Variational Gradient Descent minimize the Kullback-Leibler (KL) divergence to constrained target distributions by evolving particles in a dual space defined by a mirror map. Stein Variational Natural Gradient exploits non-Euclidean geometry to more efficiently minimize the KL divergence to unconstrained targets. We derive these samplers from a new class of mirrored Stein operators and adaptive kernels developed in this work. We demonstrate that these new samplers yield accurate approximations to distributions on the simplex, deliver valid confidence intervals in post-selection inference, and converge more rapidly than prior methods in large-scale unconstrained posterior inference. Finally, we establish the convergence of our new procedures under verifiable conditions on the target distribution.

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

Combining discrete probability distributions and combinatorial optimization problems with neural network components has numerous applications but poses several challenges. We propose Implicit Maximum Likelihood Estimation (I-MLE), a framework for end-to-end learning of models combining discrete exponential family distributions and differentiable neural components. I-MLE is widely applicable as it only requires the ability to compute the most probable states and does not rely on smooth relaxations. The framework encompasses several approaches such as perturbation-based implicit differentiation and recent methods to differentiate through black-box combinatorial solvers. We introduce a novel class of noise distributions for approximating marginals via perturb-and-MAP. Moreover, we show that I-MLE simplifies to maximum likelihood estimation when used in some recently studied learning settings that involve combinatorial solvers. Experiments on several datasets suggest that I-MLE is competitive with and often outperforms existing approaches which rely on problem-specific relaxations.

Clustering is a widely deployed unsupervised learning tool. Model-based clustering is a flexible framework to tackle data heterogeneity when the clusters have different shapes. Likelihood-based inference for mixture distributions often involves non-convex and high-dimensional objective functions, imposing difficult computational and statistical challenges. The classic expectation-maximization (EM) algorithm is a computationally thrifty iterative method that maximizes a surrogate function minorizing the log-likelihood of observed data in each iteration, which however suffers from bad local maxima even in the special case of the standard Gaussian mixture model with common isotropic covariance matrices. On the other hand, recent studies reveal that the unique global solution of a semidefinite programming (SDP) relaxed K-means achieves the information-theoretically sharp threshold for perfectly recovering the cluster labels under the standard Gaussian mixture model. In this paper, we extend the SDP approach to a general setting by integrating cluster labels as model parameters and propose an iterative likelihood adjusted SDP (iLA-SDP) method that directly maximizes the exact observed likelihood in the presence of data heterogeneity. By lifting the cluster assignment to group-specific membership matrices, iLA-SDP avoids centroids estimation -- a key feature that allows exact recovery under well-separateness of centroids without being trapped by their adversarial configurations. Thus iLA-SDP is less sensitive than EM to initialization and more stable on high-dimensional data. Our numeric experiments demonstrate that iLA-SDP can achieve lower mis-clustering errors over several widely used clustering methods including K-means, SDP and EM algorithms.

We study the problem of differentially private (DP) computation of coreset for the k-means objective. For a given input set of points, a coreset is another set of points such that the k-means objective for any candidate solution is preserved up to a multiplicative (1 pm α) factor (and some additive factor). We prove the first computational lower bounds for this problem. Specifically, assuming the existence of one-way functions, we show that no polynomial-time (ε, 1/n^{ω(1)})-DP algorithm can compute a coreset for k-means in the ell_infty-metric for some constant α> 0 (and some constant additive factor), even for k=3. For k-means in the Euclidean metric, we show a similar result but only for α= Θleft(1/d^2right), where d is the dimension.

Beyond minimizing a single training loss, many deep learning estimation pipelines rely on an auxiliary objective to quantify and encourage desirable properties of the model (e.g. performance on another dataset, robustness, agreement with a prior). Although the simplest approach to incorporating an auxiliary loss is to sum it with the training loss as a regularizer, recent works have shown that one can improve performance by blending the gradients beyond a simple sum; this is known as gradient surgery. We cast the problem as a constrained minimization problem where the auxiliary objective is minimized among the set of minimizers of the training loss. To solve this bilevel problem, we follow a parameter update direction that combines the training loss gradient and the orthogonal projection of the auxiliary gradient to the training gradient. In a setting where gradients come from mini-batches, we explain how, using a moving average of the training loss gradients, we can carefully maintain this critical orthogonality property. We demonstrate that our method, Bloop, can lead to much better performances on NLP and vision experiments than other gradient surgery methods without EMA.

On-policy distillation (OPD) learns from teacher feedback on student-generated responses and has shown promise in reducing forgetting relative to supervised fine-tuning (SFT). However, its benefits and fragility remain incompletely understood. We study sequential distillation from multiple teachers, where the student minimizes its average divergence from the teachers. Forward Kullback--Leibler (KL) divergence yields a weighted arithmetic mixture, while reverse KL yields a normalized weighted geometric aggregate. We develop algorithms that learn these targets under off-policy and on-policy feedback, respectively, establishing logarithmic regret bounds in the tabular setting and extending the analysis to function approximation. By analyzing these aggregation targets, we identify mechanisms that help explain both the benefits and fragility of OPD. Relative to forward KL, reverse KL can better retain a confident expert's preferences under uninformative feedback, but is more sensitive to teachers that assign very low probabilities to correct responses. Its token-level conditionals also reveal a dependence on continuation distributions that can favor incorrect prefixes over long horizons.

In this paper, we revisit the problem of sparse linear regression in the local differential privacy (LDP) model. Existing research in the non-interactive and sequentially local models has focused on obtaining the lower bounds for the case where the underlying parameter is 1-sparse, and extending such bounds to the more general k-sparse case has proven to be challenging. Moreover, it is unclear whether efficient non-interactive LDP (NLDP) algorithms exist. To address these issues, we first consider the problem in the epsilon non-interactive LDP model and provide a lower bound of Omega(sqrt{dklog d}{nepsilon}) on the ell_2-norm estimation error for sub-Gaussian data, where n is the sample size and d is the dimension of the space. We propose an innovative NLDP algorithm, the very first of its kind for the problem. As a remarkable outcome, this algorithm also yields a novel and highly efficient estimator as a valuable by-product. Our algorithm achieves an upper bound of O({dsqrt{k}{nepsilon}}) for the estimation error when the data is sub-Gaussian, which can be further improved by a factor of O(d) if the server has additional public but unlabeled data. For the sequentially interactive LDP model, we show a similar lower bound of Omega({sqrt{dk}{nepsilon}}). As for the upper bound, we rectify a previous method and show that it is possible to achieve a bound of O(ksqrt{d}{nepsilon}). Our findings reveal fundamental differences between the non-private case, central DP model, and local DP model in the sparse linear regression problem.

Recent advances in large language model (LLM) post-training have leveraged two distinct paradigms to enhance reasoning capabilities: reinforcement learning (RL) and knowledge distillation (KD). While RL enables the emergence of complex reasoning behaviors, it often suffers from low sample efficiency when the initial policy struggles to explore high-reward trajectories. Conversely, KD improves learning efficiency via mimicking the teacher model but tends to generalize poorly to out-of-domain scenarios. In this work, we present KDRL, a unified post-training framework that jointly optimizes a reasoning model through teacher supervision (KD) and self-exploration (RL). Specifically, KDRL leverages policy gradient optimization to simultaneously minimize the reverse Kullback-Leibler divergence (RKL) between the student and teacher distributions while maximizing the expected rule-based rewards. We first formulate a unified objective that integrates GRPO and KD, and systematically explore how different KL approximations, KL coefficients, and reward-guided KD strategies affect the overall post-training dynamics and performance. Empirical results on multiple reasoning benchmarks demonstrate that KDRL outperforms GRPO and various KD baselines while achieving a favorable balance between performance and reasoning token efficiency. These findings indicate that integrating KD and RL serves as an effective and efficient strategy to train reasoning LLMs.

The problem of estimating an unknown discrete distribution from its samples is a fundamental tenet of statistical learning. Over the past decade, it attracted significant research effort and has been solved for a variety of divergence measures. Surprisingly, an equally important problem, estimating an unknown Markov chain from its samples, is still far from understood. We consider two problems related to the min-max risk (expected loss) of estimating an unknown k-state Markov chain from its n sequential samples: predicting the conditional distribution of the next sample with respect to the KL-divergence, and estimating the transition matrix with respect to a natural loss induced by KL or a more general f-divergence measure. For the first measure, we determine the min-max prediction risk to within a linear factor in the alphabet size, showing it is Omega(kloglog n / n) and O(k^2loglog n / n). For the second, if the transition probabilities can be arbitrarily small, then only trivial uniform risk upper bounds can be derived. We therefore consider transition probabilities that are bounded away from zero, and resolve the problem for essentially all sufficiently smooth f-divergences, including KL-, L_2-, Chi-squared, Hellinger, and Alpha-divergences.

Lasso and Ridge are important minimization problems in machine learning and statistics. They are versions of linear regression with squared loss where the vector θinR^d of coefficients is constrained in either ell_1-norm (for Lasso) or in ell_2-norm (for Ridge). We study the complexity of quantum algorithms for finding varepsilon-minimizers for these minimization problems. We show that for Lasso we can get a quadratic quantum speedup in terms of d by speeding up the cost-per-iteration of the Frank-Wolfe algorithm, while for Ridge the best quantum algorithms are linear in d, as are the best classical algorithms. As a byproduct of our quantum lower bound for Lasso, we also prove the first classical lower bound for Lasso that is tight up to polylog-factors.