Daily Papers

We study how a central bank should dynamically set short-term nominal interest rates to stabilize inflation and unemployment when macroeconomic relationships are uncertain and time-varying. We model monetary policy as a sequential decision-making problem where the central bank observes macroeconomic conditions quarterly and chooses interest rate adjustments. Using publically accessible historical Federal Reserve Economic Data (FRED), we construct a linear-Gaussian transition model and implement a discrete-action Markov Decision Process with a quadratic loss reward function. We chose to compare nine different reinforcement learning style approaches against Taylor Rule and naive baselines, including tabular Q-learning variants, SARSA, Actor-Critic, Deep Q-Networks, Bayesian Q-learning with uncertainty quantification, and POMDP formulations with partial observability. Surprisingly, standard tabular Q-learning achieved the best performance (-615.13 +- 309.58 mean return), outperforming both enhanced RL methods and traditional policy rules. Our results suggest that while sophisticated RL techniques show promise for monetary policy applications, simpler approaches may be more robust in this domain, highlighting important challenges in applying modern RL to macroeconomic policy.

Modern deep neural networks (DNNs) represent a formidable challenge for theorists: according to the commonly accepted probabilistic framework that describes their performance, these architectures should overfit due to the huge number of parameters to train, but in practice they do not. Here we employ results from replica mean field theory to compute the generalisation gap of machine learning models with quenched features, in the teacher-student scenario and for regression problems with quadratic loss function. Notably, this framework includes the case of DNNs where the last layer is optimised given a specific realisation of the remaining weights. We show how these results -- combined with ideas from statistical learning theory -- provide a stringent asymptotic upper bound on the generalisation gap of fully trained DNN as a function of the size of the dataset P. In particular, in the limit of large P and N_{out} (where N_out is the size of the last layer) and N_out ll P, the generalisation gap approaches zero faster than 2 N_out/P, for any choice of both architecture and teacher function. Notably, this result greatly improves existing bounds from statistical learning theory. We test our predictions on a broad range of architectures, from toy fully-connected neural networks with few hidden layers to state-of-the-art deep convolutional neural networks.

This paper considers the Pointer Value Retrieval (PVR) benchmark introduced in [ZRKB21], where a 'reasoning' function acts on a string of digits to produce the label. More generally, the paper considers the learning of logical functions with gradient descent (GD) on neural networks. It is first shown that in order to learn logical functions with gradient descent on symmetric neural networks, the generalization error can be lower-bounded in terms of the noise-stability of the target function, supporting a conjecture made in [ZRKB21]. It is then shown that in the distribution shift setting, when the data withholding corresponds to freezing a single feature (referred to as canonical holdout), the generalization error of gradient descent admits a tight characterization in terms of the Boolean influence for several relevant architectures. This is shown on linear models and supported experimentally on other models such as MLPs and Transformers. In particular, this puts forward the hypothesis that for such architectures and for learning logical functions such as PVR functions, GD tends to have an implicit bias towards low-degree representations, which in turn gives the Boolean influence for the generalization error under quadratic loss.

In this paper, we study a novel and widely existing problem in graph matching (GM), namely, Bi-level Noisy Correspondence (BNC), which refers to node-level noisy correspondence (NNC) and edge-level noisy correspondence (ENC). In brief, on the one hand, due to the poor recognizability and viewpoint differences between images, it is inevitable to inaccurately annotate some keypoints with offset and confusion, leading to the mismatch between two associated nodes, i.e., NNC. On the other hand, the noisy node-to-node correspondence will further contaminate the edge-to-edge correspondence, thus leading to ENC. For the BNC challenge, we propose a novel method termed Contrastive Matching with Momentum Distillation. Specifically, the proposed method is with a robust quadratic contrastive loss which enjoys the following merits: i) better exploring the node-to-node and edge-to-edge correlations through a GM customized quadratic contrastive learning paradigm; ii) adaptively penalizing the noisy assignments based on the confidence estimated by the momentum teacher. Extensive experiments on three real-world datasets show the robustness of our model compared with 12 competitive baselines. The code is available at https://github.com/XLearning-SCU/2023-ICCV-COMMON.

To improve the efficiency and sustainability of learning deep models, we propose CREST, the first scalable framework with rigorous theoretical guarantees to identify the most valuable examples for training non-convex models, particularly deep networks. To guarantee convergence to a stationary point of a non-convex function, CREST models the non-convex loss as a series of quadratic functions and extracts a coreset for each quadratic sub-region. In addition, to ensure faster convergence of stochastic gradient methods such as (mini-batch) SGD, CREST iteratively extracts multiple mini-batch coresets from larger random subsets of training data, to ensure nearly-unbiased gradients with small variances. Finally, to further improve scalability and efficiency, CREST identifies and excludes the examples that are learned from the coreset selection pipeline. Our extensive experiments on several deep networks trained on vision and NLP datasets, including CIFAR-10, CIFAR-100, TinyImageNet, and SNLI, confirm that CREST speeds up training deep networks on very large datasets, by 1.7x to 2.5x with minimum loss in the performance. By analyzing the learning difficulty of the subsets selected by CREST, we show that deep models benefit the most by learning from subsets of increasing difficulty levels.

Voice activity detection (VAD) is essential for speech-driven applications, but remains far from perfect in noisy and resource-limited environments. Existing methods often lack robustness to noise, and their frame-wise classification losses are only loosely coupled with the evaluation metric of VAD. To address these challenges, we propose SincQDR-VAD, a compact and robust framework that combines a Sinc-extractor front-end with a novel quadratic disparity ranking loss. The Sinc-extractor uses learnable bandpass filters to capture noise-resistant spectral features, while the ranking loss optimizes the pairwise score order between speech and non-speech frames to improve the area under the receiver operating characteristic curve (AUROC). A series of experiments conducted on representative benchmark datasets show that our framework considerably improves both AUROC and F2-Score, while using only 69% of the parameters compared to prior arts, confirming its efficiency and practical viability.

We develop a robust quaternion recurrent neural network (QRNN) for real-time processing of 3D and 4D data with outliers. This is achieved by combining the real-time recurrent learning (RTRL) algorithm and the maximum correntropy criterion (MCC) as a loss function. While both the mean square error and maximum correntropy criterion are viable cost functions, it is shown that the non-quadratic maximum correntropy loss function is less sensitive to outliers, making it suitable for applications with multidimensional noisy or uncertain data. Both algorithms are derived based on the novel generalised HR (GHR) calculus, which allows for the differentiation of real functions of quaternion variables and offers the product and chain rules, thus enabling elegant and compact derivations. Simulation results in the context of motion prediction of chest internal markers for lung cancer radiotherapy, which includes regular and irregular breathing sequences, support the analysis.

We introduce for continual learning Autodiff Quadratic Consolidation (AQC), which approximates the previous loss function with a quadratic function, and Neural Consolidation (NC), which approximates the previous loss function with a neural network. Although they are not scalable to large neural networks, they can be used with a fixed pre-trained feature extractor. We empirically study these methods in class-incremental learning, for which regularization-based methods produce unsatisfactory results, unless combined with replay. We find that for small datasets, quadratic approximation of the previous loss function leads to poor results, even with full Hessian computation, and NC could significantly improve the predictive performance, while for large datasets, when used with a fixed pre-trained feature extractor, AQC provides superior predictive performance. We also find that using tanh-output features can improve the predictive performance of AQC. In particular, in class-incremental Split MNIST, when a Convolutional Neural Network (CNN) with tanh-output features is pre-trained on EMNIST Letters and used as a fixed pre-trained feature extractor, AQC can achieve predictive performance comparable to joint training.

Transformer-based models have gained increasing popularity achieving state-of-the-art performance in many research fields including speech translation. However, Transformer's quadratic complexity with respect to the input sequence length prevents its adoption as is with audio signals, which are typically represented by long sequences. Current solutions resort to an initial sub-optimal compression based on a fixed sampling of raw audio features. Therefore, potentially useful linguistic information is not accessible to higher-level layers in the architecture. To solve this issue, we propose Speechformer, an architecture that, thanks to reduced memory usage in the attention layers, avoids the initial lossy compression and aggregates information only at a higher level according to more informed linguistic criteria. Experiments on three language pairs (en->de/es/nl) show the efficacy of our solution, with gains of up to 0.8 BLEU on the standard MuST-C corpus and of up to 4.0 BLEU in a low resource scenario.

Large language models (LLMs) now support extremely long context windows, but the quadratic complexity of vanilla attention results in significantly long Time-to-First-Token (TTFT) latency. Existing approaches to address this complexity require additional pretraining or finetuning, and often sacrifice model accuracy. In this paper, we first provide both theoretical and empirical foundations for near-lossless sparse attention. We find dynamically capturing head-specific sparse patterns at runtime with low overhead is crucial. To address this, we propose SampleAttention, an adaptive structured and near-lossless sparse attention. Leveraging observed significant sparse patterns, SampleAttention attends to a fixed percentage of adjacent tokens to capture local window patterns, and employs a two-stage query-guided key-value filtering approach, which adaptively select a minimum set of key-values with low overhead, to capture column stripe patterns. Comprehensive evaluations show that SampleAttention can seamlessly replace vanilla attention in off-the-shelf LLMs with nearly no accuracy loss, and reduces TTFT by up to 2.42times compared with FlashAttention.

Sequence-to-sequence tasks often benefit from long contexts, but the quadratic complexity of self-attention in standard Transformers renders this non-trivial. During generation, temporary representations -stored in the so-called KV cache-account for a large portion of GPU memory usage and scale linearly with context length. We introduce KV-Distill, a Transformer compression framework that distills long context KV caches into significantly shorter representations in a question-independent fashion. KV-Distill can be trained as a parameter-efficient adaptor for pretrained models, and enables the compression of arbitrary spans of a context while preserving pre-trained model capabilities. We treat a compressed-uncompressed cache as a student-teacher pairing and apply a KL-type divergence to match the generated outputs. KV-Distill outperforms other compression techniques in worst-case extractive tasks and approaches uncompressed performance in long context question answering and summarization, and it can be fine-tuned on domain-specific contexts to reduce lengths by up to 99% while preserving downstream performance. We demonstrate the generalizability of KV-Distill across various model sizes and architectures.

Existing work on prompt compression for Large Language Models (LLM) focuses on lossy methods that try to maximize the retention of semantic information that is relevant to downstream tasks while significantly reducing the sequence length. In this paper, we introduce a task-agnostic lossless compression technique similar to LZ77 that makes it possible to reduce the input token sequence length on average by 27\% and 18\% for the two evaluation tasks explored here. Given that we use transformer-based LLMs, this equates to 47\% and 33\% less encoding computation, respectively, due to the quadratic nature of attention. The token sequence transformation is trivial to reverse and highlights that no semantic information is lost in the process. We evaluate our proposed approach on two tasks that require strict preservation of semantics/syntax and demonstrate that existing lossy compression methods perform poorly in this setting. We find that our lossless compression technique produces only a small gap in performance compared to using the uncompressed input and posit that larger models and an expanded computing budget would likely erase the gap entirely.

Contrastive loss is a powerful approach for representation learning, where larger batch sizes enhance performance by providing more negative samples to better distinguish between similar and dissimilar data. However, scaling batch sizes is constrained by the quadratic growth in GPU memory consumption, primarily due to the full instantiation of the similarity matrix. To address this, we propose a tile-based computation strategy that partitions the contrastive loss calculation into arbitrary small blocks, avoiding full materialization of the similarity matrix. Furthermore, we introduce a multi-level tiling strategy to leverage the hierarchical structure of distributed systems, employing ring-based communication at the GPU level to optimize synchronization and fused kernels at the CUDA core level to reduce I/O overhead. Experimental results show that the proposed method scales batch sizes to unprecedented levels. For instance, it enables contrastive training of a CLIP-ViT-L/14 model with a batch size of 4M or 12M using 8 or 32 A800 80GB without sacrificing any accuracy. Compared to SOTA memory-efficient solutions, it achieves a two-order-of-magnitude reduction in memory while maintaining comparable speed. The code will be made publicly available.

Heavy-tail phenomena in stochastic gradient descent (SGD) have been reported in several empirical studies. Experimental evidence in previous works suggests a strong interplay between the heaviness of the tails and generalization behavior of SGD. To address this empirical phenomena theoretically, several works have made strong topological and statistical assumptions to link the generalization error to heavy tails. Very recently, new generalization bounds have been proven, indicating a non-monotonic relationship between the generalization error and heavy tails, which is more pertinent to the reported empirical observations. While these bounds do not require additional topological assumptions given that SGD can be modeled using a heavy-tailed stochastic differential equation (SDE), they can only apply to simple quadratic problems. In this paper, we build on this line of research and develop generalization bounds for a more general class of objective functions, which includes non-convex functions as well. Our approach is based on developing Wasserstein stability bounds for heavy-tailed SDEs and their discretizations, which we then convert to generalization bounds. Our results do not require any nontrivial assumptions; yet, they shed more light to the empirical observations, thanks to the generality of the loss functions.

Focal cortical dysplasia (FCD) lesions in epilepsy FLAIR MRI are subtle and scarce, making joint image--mask generative modeling prone to instability and memorization. We propose SLIM-Diff, a compact joint diffusion model whose main contributions are (i) a single shared-bottleneck U-Net that enforces tight coupling between anatomy and lesion geometry from a 2-channel image+mask representation, and (ii) loss-geometry tuning via a tunable L_p objective. As an internal baseline, we include the canonical DDPM-style objective (ε-prediction with L_2 loss) and isolate the effect of prediction parameterization and L_p geometry under a matched setup. Experiments show that x_0-prediction is consistently the strongest choice for joint synthesis, and that fractional sub-quadratic penalties (L_{1.5}) improve image fidelity while L_2 better preserves lesion mask morphology. Our code and model weights are available in https://github.com/MarioPasc/slim-diff

Contrastive learning has recently achieved remarkable success in many domains including graphs. However contrastive loss, especially for graphs, requires a large number of negative samples which is unscalable and computationally prohibitive with a quadratic time complexity. Sub-sampling is not optimal and incorrect negative sampling leads to sampling bias. In this work, we propose a meta-node based approximation technique that can (a) proxy all negative combinations (b) in quadratic cluster size time complexity, (c) at graph level, not node level, and (d) exploit graph sparsity. By replacing node-pairs with additive cluster-pairs, we compute the negatives in cluster-time at graph level. The resulting Proxy approximated meta-node Contrastive (PamC) loss, based on simple optimized GPU operations, captures the full set of negatives, yet is efficient with a linear time complexity. By avoiding sampling, we effectively eliminate sample bias. We meet the criterion for larger number of samples, thus achieving block-contrastiveness, which is proven to outperform pair-wise losses. We use learnt soft cluster assignments for the meta-node constriction, and avoid possible heterophily and noise added during edge creation. Theoretically, we show that real world graphs easily satisfy conditions necessary for our approximation. Empirically, we show promising accuracy gains over state-of-the-art graph clustering on 6 benchmarks. Importantly, we gain substantially in efficiency; up to 3x in training time, 1.8x in inference time and over 5x in GPU memory reduction.

The Muon optimizer has received considerable attention for its strong performance in training large language models, yet the design principle behind its matrix-gradient orthogonalization remains largely elusive. In this paper, we introduce a surrogate model that not only sheds new light on the design of Muon, but more importantly leads to a new optimizer. In the same spirit as the derivation of Newton's method, the surrogate approximates the loss as a quadratic function of the perturbation to a weight matrix W using only three matrices: the gradient G, an output-space curvature matrix H, and the data matrix Z that stacks the layer inputs. By minimizing this surrogate in one step and adopting a certain isotropic assumption on the weights, we obtain the closed-form update rule (up to momentum and weight decay) W leftarrow W - ηcdot msgn(G(ZZ^top)^{-1}), where η is the learning rate and msgn(X)=UV^top if X=USV^top is a compact singular value decomposition. This new optimization method, which we refer to as Newton-Muon, shows that standard Muon can be interpreted as an implicit Newton-type method that neglects the right preconditioning induced by the input second moment. Empirically, on a reproduction of the earliest publicly released Modded-NanoGPT speedrun configuration using Muon for GPT-2 pretraining, Newton-Muon reaches the target validation loss in 6\% fewer iteration steps and reduces wall-clock training time by about 4\%.

When quantizing neural networks, assigning each floating-point weight to its nearest fixed-point value is the predominant approach. We find that, perhaps surprisingly, this is not the best we can do. In this paper, we propose AdaRound, a better weight-rounding mechanism for post-training quantization that adapts to the data and the task loss. AdaRound is fast, does not require fine-tuning of the network, and only uses a small amount of unlabelled data. We start by theoretically analyzing the rounding problem for a pre-trained neural network. By approximating the task loss with a Taylor series expansion, the rounding task is posed as a quadratic unconstrained binary optimization problem. We simplify this to a layer-wise local loss and propose to optimize this loss with a soft relaxation. AdaRound not only outperforms rounding-to-nearest by a significant margin but also establishes a new state-of-the-art for post-training quantization on several networks and tasks. Without fine-tuning, we can quantize the weights of Resnet18 and Resnet50 to 4 bits while staying within an accuracy loss of 1%.

Reinforcement learning has become central to post-training large language models, yet dominant algorithms rely on clipping mechanisms that introduce optimization issues at scale, including zero-gradient regions, reward hacking, and training instability. We propose Clipping-Free Policy Optimization (CFPO), which replaces heuristic clipping with a convex quadratic penalty derived from Total Variation divergence constraints, yielding an everywhere-differentiable objective that enforces stable policy updates without hard boundaries. We evaluate CFPO across both reasoning and alignment settings. In reasoning, CFPO matches clipping-based methods on downstream benchmarks while extending the stable training regime. In alignment, CFPO mitigates verbosity exploitation and reduces capability degradation, while achieving competitive instruction-following performance. CFPO requires only a one-line code change and no additional hyperparameters. Our results suggest that CFPO is a promising drop-in alternative to clipping-based methods for LLM post-training.

We prove rich algebraic structures of the solution space for 2-layer neural networks with quadratic activation and L_2 loss, trained on reasoning tasks in Abelian group (e.g., modular addition). Such a rich structure enables analytical construction of global optimal solutions from partial solutions that only satisfy part of the loss, despite its high nonlinearity. We coin the framework as CoGO (Composing Global Optimizers). Specifically, we show that the weight space over different numbers of hidden nodes of the 2-layer network is equipped with a semi-ring algebraic structure, and the loss function to be optimized consists of monomial potentials, which are ring homomorphism, allowing partial solutions to be composed into global ones by ring addition and multiplication. Our experiments show that around 95% of the solutions obtained by gradient descent match exactly our theoretical constructions. Although the global optimizers constructed only required a small number of hidden nodes, our analysis on gradient dynamics shows that over-parameterization asymptotically decouples training dynamics and is beneficial. We further show that training dynamics favors simpler solutions under weight decay, and thus high-order global optimizers such as perfect memorization are unfavorable.

The sheer size of modern neural networks makes model serving a serious computational challenge. A popular class of compression techniques overcomes this challenge by pruning or sparsifying the weights of pretrained networks. While useful, these techniques often face serious tradeoffs between computational requirements and compression quality. In this work, we propose a novel optimization-based pruning framework that considers the combined effect of pruning (and updating) multiple weights subject to a sparsity constraint. Our approach, CHITA, extends the classical Optimal Brain Surgeon framework and results in significant improvements in speed, memory, and performance over existing optimization-based approaches for network pruning. CHITA's main workhorse performs combinatorial optimization updates on a memory-friendly representation of local quadratic approximation(s) of the loss function. On a standard benchmark of pretrained models and datasets, CHITA leads to significantly better sparsity-accuracy tradeoffs than competing methods. For example, for MLPNet with only 2% of the weights retained, our approach improves the accuracy by 63% relative to the state of the art. Furthermore, when used in conjunction with fine-tuning SGD steps, our method achieves significant accuracy gains over the state-of-the-art approaches.

Existing Transformer-based models for point cloud analysis suffer from quadratic complexity, leading to compromised point cloud resolution and information loss. In contrast, the newly proposed Mamba model, based on state space models (SSM), outperforms Transformer in multiple areas with only linear complexity. However, the straightforward adoption of Mamba does not achieve satisfactory performance on point cloud tasks. In this work, we present Mamba3D, a state space model tailored for point cloud learning to enhance local feature extraction, achieving superior performance, high efficiency, and scalability potential. Specifically, we propose a simple yet effective Local Norm Pooling (LNP) block to extract local geometric features. Additionally, to obtain better global features, we introduce a bidirectional SSM (bi-SSM) with both a token forward SSM and a novel backward SSM that operates on the feature channel. Extensive experimental results show that Mamba3D surpasses Transformer-based counterparts and concurrent works in multiple tasks, with or without pre-training. Notably, Mamba3D achieves multiple SoTA, including an overall accuracy of 92.6% (train from scratch) on the ScanObjectNN and 95.1% (with single-modal pre-training) on the ModelNet40 classification task, with only linear complexity.

We propose a credit risk model for portfolios composed of green and brown loans, extending the ASRF framework via a two-factor copula structure. Systematic risk is modeled using potentially skewed distributions, allowing for asymmetric creditworthiness effects, while idiosyncratic risk remains Gaussian. Under a non-uniform exposure setting, we establish convergence in quadratic mean of the portfolio loss to a limit reflecting the distinct characteristics of the two loan segments. Numerical results confirm the theoretical findings and illustrate how value-at-risk is affected by portfolio granularity, default probabilities, factor loadings, and skewness. Our model accommodates differential sensitivity to systematic shocks and offers a tractable basis for further developments in credit risk modeling, including granularity adjustments, CDO pricing, and empirical analysis of green loan portfolios.

In-context Ranking (ICR) is an emerging paradigm for Information Retrieval (IR), which leverages contextual understanding of LLMs by directly incorporating the task description, candidate documents, and the query into the model's input prompt and tasking the LLM to identify relevant document(s). While it is effective, efficiency is a significant challenge in this paradigm, especially as the candidate list grows due to quadratic/super-linear scaling of attention operation with context length. To this end, this paper first identifies inherent and exploitable structures in the attention of LLMs finetuned for ICR: (1) inter-document block sparsity: attention is dense within each document block but sparse across different documents in the context; and (2) query-document block relevance: the attention scores from certain query tokens to a document block in middle layers strongly correlate with that document's actual relevance. Motivated by these observations, we introduce BlockRank (Blockwise In-context Ranking), a novel method that adapts the attention operation in an LLM by (a) architecturally enforcing the observed inter-document block sparsity, reducing attention complexity from quadratic to linear without loss in performance, and (b) optimizing query-document block relevance for true relevant documents during fine-tuning using an auxiliary contrastive training objective, improving retrieval in attention. Experiments on BEIR, MSMarco and NQ with Mistral-7B demonstrate that FLARE Mistral matches or outperforms existing SOTA listwise rankers and controlled fine-tuned baseline while being significantly more efficient at inference (4.7x for 100 MSMarco documents in context) and scaling gracefully to long-context shortlists, around 500 documents in-context (approximately 100K context length) within a second, presenting a scalable and effective solution for ICR.

Long-video understanding in VLMs is bottlenecked by a single monolithic forward pass over thousands of frames at quadratic attention cost. A common mitigation is to first select a small subset of informative frames before the forward pass; common for training-free selectors via auxiliary encoder-space similarities. Such signals are capped by contrastive pretraining, which usually fails on reasoning-heavy queries (negation, cross-frame counting, holistic summarization). We propose GridProbe, an efficient training-free posterior-probing inference paradigm that scores evidence in answer space using a frozen VLM's own reasoning and then selects question-relevant frames adaptively, resulting in sub-quadratic attention cost with little to no accuracy loss. We arrange frames on a K{times}K grid and run lightweight row R and column C probes, where each probe reads its peak posterior as a query-conditioned confidence. The outer product of R and C yields an interpretable importance map whose skewness and kurtosis drive Shape-Adaptive Selection, a closed-form rule that reliably replaces the fixed frame budget M with a per-question M_{eff}. We show empirically that M_{eff} tracks intrinsic question difficulty without ever seeing the answer, a sign of test-time adaptive compute. On Video-MME-v2, GridProbe matches the monolithic baseline within 1.6 pp Avg Acc at 3.36times TFLOPs reduction, while on LongVideoBench it Pareto-dominates the baseline (+0.9 pp at 0.35times compute). Because the selector and QA models can be decoupled, pairing a small 2B selector with a stronger 4B or 8B QA is strictly Pareto-dominant over the 2B monolithic baseline (up to +4.0 pp at 0.52times compute, on average), with no retraining. Finally, the interpretability of the importance maps opens future avenues for behavioral diagnostics, grounding, and frame-selection distillation.

We introduce Leap+Verify, a framework that applies speculative execution -- predicting future model weights and validating predictions before acceptance -- to accelerate neural network training. Inspired by speculative decoding in language model inference and by the Automatically Scalable Computation (ASC) architecture for program execution, Leap+Verify decomposes training into three dynamically detected regimes (chaotic, transition, stable) using activation-space cosine similarity as a real-time Lyapunov proxy signal. Within each regime, analytic weight predictors (momentum, linear, quadratic extrapolation) attempt to forecast model parameters K training steps ahead; predictions are accepted only when validated against a held-out loss criterion. We evaluate Leap+Verify on GPT-2 124M and Qwen 2.5-1.5B trained on WikiText-103 across five random seeds, sweeping prediction depth K in {5, 10, 25, 50, 75, 100}. Momentum-based prediction (Adam moment extrapolation) fails catastrophically at both scales, with predicted losses exceeding actuals by 100-10,000x -- a universal norm explosion in optimizer-state extrapolation. Finite-difference predictors (linear, quadratic) succeed where momentum fails: at 124M, they achieve 24% strict acceptance at K=5 in stable regimes; at 1.5B, they achieve 37% strict acceptance in transition regimes. The scale-dependent finding is in regime distribution: GPT-2 124M spends 34% of training in stable regime, while Qwen 1.5B spends 64% in chaotic regime and reaches stable in only 0-2 of 40 checkpoints. Larger models are more predictable when predictable, but less often predictable -- the practical bottleneck shifts from predictor accuracy to regime availability. Cross-seed results are highly consistent (less than 1% validation loss variance), and the three-regime framework produces identical phase boundaries (plus or minus 50 steps) across seeds.

Recent works have shown a reduction from contextual bandits to online regression under a realizability assumption [Foster and Rakhlin, 2020, Foster and Krishnamurthy, 2021]. In this work, we investigate the use of neural networks for such online regression and associated Neural Contextual Bandits (NeuCBs). Using existing results for wide networks, one can readily show a {O}(T) regret for online regression with square loss, which via the reduction implies a {O}(K T^{3/4}) regret for NeuCBs. Departing from this standard approach, we first show a O(log T) regret for online regression with almost convex losses that satisfy QG (Quadratic Growth) condition, a generalization of the PL (Polyak-\L ojasiewicz) condition, and that have a unique minima. Although not directly applicable to wide networks since they do not have unique minima, we show that adding a suitable small random perturbation to the network predictions surprisingly makes the loss satisfy QG with unique minima. Based on such a perturbed prediction, we show a {O}(log T) regret for online regression with both squared loss and KL loss, and subsequently convert these respectively to mathcal{O}(KT) and mathcal{O}(KL^* + K) regret for NeuCB, where L^* is the loss of the best policy. Separately, we also show that existing regret bounds for NeuCBs are Omega(T) or assume i.i.d. contexts, unlike this work. Finally, our experimental results on various datasets demonstrate that our algorithms, especially the one based on KL loss, persistently outperform existing algorithms.

Nearly all practical neural models for classification are trained using cross-entropy loss. Yet this ubiquitous choice is supported by little theoretical or empirical evidence. Recent work (Hui & Belkin, 2020) suggests that training using the (rescaled) square loss is often superior in terms of the classification accuracy. In this paper we propose the "squentropy" loss, which is the sum of two terms: the cross-entropy loss and the average square loss over the incorrect classes. We provide an extensive set of experiments on multi-class classification problems showing that the squentropy loss outperforms both the pure cross entropy and rescaled square losses in terms of the classification accuracy. We also demonstrate that it provides significantly better model calibration than either of these alternative losses and, furthermore, has less variance with respect to the random initialization. Additionally, in contrast to the square loss, squentropy loss can typically be trained using exactly the same optimization parameters, including the learning rate, as the standard cross-entropy loss, making it a true "plug-and-play" replacement. Finally, unlike the rescaled square loss, multiclass squentropy contains no parameters that need to be adjusted.

We consider learning in an adversarial Markov Decision Process (MDP) where the loss functions can change arbitrarily over K episodes and the state space can be arbitrarily large. We assume that the Q-function of any policy is linear in some known features, that is, a linear function approximation exists. The best existing regret upper bound for this setting (Luo et al., 2021) is of order mathcal O(K^{2/3}) (omitting all other dependencies), given access to a simulator. This paper provides two algorithms that improve the regret to mathcal O(sqrt K) in the same setting. Our first algorithm makes use of a refined analysis of the Follow-the-Regularized-Leader (FTRL) algorithm with the log-barrier regularizer. This analysis allows the loss estimators to be arbitrarily negative and might be of independent interest. Our second algorithm develops a magnitude-reduced loss estimator, further removing the polynomial dependency on the number of actions in the first algorithm and leading to the optimal regret bound (up to logarithmic terms and dependency on the horizon). Moreover, we also extend the first algorithm to simulator-free linear MDPs, which achieves mathcal O(K^{8/9}) regret and greatly improves over the best existing bound mathcal O(K^{14/15}). This algorithm relies on a better alternative to the Matrix Geometric Resampling procedure by Neu & Olkhovskaya (2020), which could again be of independent interest.

Inspired by the diversity of biological neurons, quadratic artificial neurons can play an important role in deep learning models. The type of quadratic neurons of our interest replaces the inner-product operation in the conventional neuron with a quadratic function. Despite promising results so far achieved by networks of quadratic neurons, there are important issues not well addressed. Theoretically, the superior expressivity of a quadratic network over either a conventional network or a conventional network via quadratic activation is not fully elucidated, which makes the use of quadratic networks not well grounded. Practically, although a quadratic network can be trained via generic backpropagation, it can be subject to a higher risk of collapse than the conventional counterpart. To address these issues, we first apply the spline theory and a measure from algebraic geometry to give two theorems that demonstrate better model expressivity of a quadratic network than the conventional counterpart with or without quadratic activation. Then, we propose an effective training strategy referred to as ReLinear to stabilize the training process of a quadratic network, thereby unleashing the full potential in its associated machine learning tasks. Comprehensive experiments on popular datasets are performed to support our findings and confirm the performance of quadratic deep learning. We have shared our code in https://github.com/FengleiFan/ReLinear.

Most value function learning algorithms in reinforcement learning are based on the mean squared (projected) Bellman error. However, squared errors are known to be sensitive to outliers, both skewing the solution of the objective and resulting in high-magnitude and high-variance gradients. To control these high-magnitude updates, typical strategies in RL involve clipping gradients, clipping rewards, rescaling rewards, or clipping errors. While these strategies appear to be related to robust losses -- like the Huber loss -- they are built on semi-gradient update rules which do not minimize a known loss. In this work, we build on recent insights reformulating squared Bellman errors as a saddlepoint optimization problem and propose a saddlepoint reformulation for a Huber Bellman error and Absolute Bellman error. We start from a formalization of robust losses, then derive sound gradient-based approaches to minimize these losses in both the online off-policy prediction and control settings. We characterize the solutions of the robust losses, providing insight into the problem settings where the robust losses define notably better solutions than the mean squared Bellman error. Finally, we show that the resulting gradient-based algorithms are more stable, for both prediction and control, with less sensitivity to meta-parameters.

Loss functions serve as the foundation of supervised learning and are often chosen prior to model development. To avoid potentially ad hoc choices of losses, statistical decision theory describes a desirable property for losses known as properness, which asserts that Bayes' rule is optimal. Recent works have sought to learn losses and models jointly. Existing methods do this by fitting an inverse canonical link function which monotonically maps R to [0,1] to estimate probabilities for binary problems. In this paper, we extend monotonicity to maps between R^{C-1} and the projected probability simplex Delta^{C-1} by using monotonicity of gradients of convex functions. We present {\sc LegendreTron} as a novel and practical method that jointly learns proper canonical losses and probabilities for multiclass problems. Tested on a benchmark of domains with up to 1,000 classes, our experimental results show that our method consistently outperforms the natural multiclass baseline under a t-test at 99% significance on all datasets with greater than 10 classes.

We consider the problem of learning a target function corresponding to a single hidden layer neural network, with a quadratic activation function after the first layer, and random weights. We consider the asymptotic limit where the input dimension and the network width are proportionally large. Recent work [Cui & al '23] established that linear regression provides Bayes-optimal test error to learn such a function when the number of available samples is only linear in the dimension. That work stressed the open challenge of theoretically analyzing the optimal test error in the more interesting regime where the number of samples is quadratic in the dimension. In this paper, we solve this challenge for quadratic activations and derive a closed-form expression for the Bayes-optimal test error. We also provide an algorithm, that we call GAMP-RIE, which combines approximate message passing with rotationally invariant matrix denoising, and that asymptotically achieves the optimal performance. Technically, our result is enabled by establishing a link with recent works on optimal denoising of extensive-rank matrices and on the ellipsoid fitting problem. We further show empirically that, in the absence of noise, randomly-initialized gradient descent seems to sample the space of weights, leading to zero training loss, and averaging over initialization leads to a test error equal to the Bayes-optimal one.

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.

The adversarial vulnerability of Deep Neural Networks (DNNs) has been well-known and widely concerned, often under the context of learning top-1 attacks (e.g., fooling a DNN to classify a cat image as dog). This paper shows that the concern is much more serious by learning significantly more aggressive ordered top-K clear-box~ This is often referred to as white/black-box attacks in the literature. We choose to adopt neutral terminology, clear/opaque-box attacks in this paper, and omit the prefix clear-box for simplicity. targeted attacks proposed in Adversarial Distillation. We propose a novel and rigorous quadratic programming (QP) method of learning ordered top-K attacks with low computing cost, dubbed as QuadAttacK. Our QuadAttacK directly solves the QP to satisfy the attack constraint in the feature embedding space (i.e., the input space to the final linear classifier), which thus exploits the semantics of the feature embedding space (i.e., the principle of class coherence). With the optimized feature embedding vector perturbation, it then computes the adversarial perturbation in the data space via the vanilla one-step back-propagation. In experiments, the proposed QuadAttacK is tested in the ImageNet-1k classification using ResNet-50, DenseNet-121, and Vision Transformers (ViT-B and DEiT-S). It successfully pushes the boundary of successful ordered top-K attacks from K=10 up to K=20 at a cheap budget (1times 60) and further improves attack success rates for K=5 for all tested models, while retaining the performance for K=1.

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

While neural networks can be approximated by linear models as their width increases, certain properties of wide neural networks cannot be captured by linear models. In this work we show that recently proposed Neural Quadratic Models can exhibit the "catapult phase" [Lewkowycz et al. 2020] that arises when training such models with large learning rates. We then empirically show that the behaviour of neural quadratic models parallels that of neural networks in generalization, especially in the catapult phase regime. Our analysis further demonstrates that quadratic models can be an effective tool for analysis of neural networks.

We study the problem of learning hierarchical polynomials over the standard Gaussian distribution with three-layer neural networks. We specifically consider target functions of the form h = g circ p where p : R^d rightarrow R is a degree k polynomial and g: R rightarrow R is a degree q polynomial. This function class generalizes the single-index model, which corresponds to k=1, and is a natural class of functions possessing an underlying hierarchical structure. Our main result shows that for a large subclass of degree k polynomials p, a three-layer neural network trained via layerwise gradient descent on the square loss learns the target h up to vanishing test error in mathcal{O}(d^k) samples and polynomial time. This is a strict improvement over kernel methods, which require widetilde Theta(d^{kq}) samples, as well as existing guarantees for two-layer networks, which require the target function to be low-rank. Our result also generalizes prior works on three-layer neural networks, which were restricted to the case of p being a quadratic. When p is indeed a quadratic, we achieve the information-theoretically optimal sample complexity mathcal{O}(d^2), which is an improvement over prior work~nichani2023provable requiring a sample size of widetildeTheta(d^4). Our proof proceeds by showing that during the initial stage of training the network performs feature learning to recover the feature p with mathcal{O}(d^k) samples. This work demonstrates the ability of three-layer neural networks to learn complex features and as a result, learn a broad class of hierarchical functions.

We initiate the study of proper losses for evaluating generative models in the discrete setting. Unlike traditional proper losses, we treat both the generative model and the target distribution as black-boxes, only assuming ability to draw i.i.d. samples. We define a loss to be black-box proper if the generative distribution that minimizes expected loss is equal to the target distribution. Using techniques from statistical estimation theory, we give a general construction and characterization of black-box proper losses: they must take a polynomial form, and the number of draws from the model and target distribution must exceed the degree of the polynomial. The characterization rules out a loss whose expectation is the cross-entropy between the target distribution and the model. By extending the construction to arbitrary sampling schemes such as Poisson sampling, however, we show that one can construct such a loss.

We study the optimisation problem associated with Gaussian process regression using squared loss. The most common approach to this problem is to apply an exact solver, such as conjugate gradient descent, either directly, or to a reduced-order version of the problem. Recently, driven by successes in deep learning, stochastic gradient descent has gained traction as an alternative. In this paper, we show that when done rightx2014by which we mean using specific insights from the optimisation and kernel communitiesx2014this approach is highly effective. We thus introduce a particular stochastic dual gradient descent algorithm, that may be implemented with a few lines of code using any deep learning framework. We explain our design decisions by illustrating their advantage against alternatives with ablation studies and show that the new method is highly competitive. Our evaluations on standard regression benchmarks and a Bayesian optimisation task set our approach apart from preconditioned conjugate gradients, variational Gaussian process approximations, and a previous version of stochastic gradient descent for Gaussian processes. On a molecular binding affinity prediction task, our method places Gaussian process regression on par in terms of performance with state-of-the-art graph neural networks.

Cross-entropy is a widely used loss function in applications. It coincides with the logistic loss applied to the outputs of a neural network, when the softmax is used. But, what guarantees can we rely on when using cross-entropy as a surrogate loss? We present a theoretical analysis of a broad family of loss functions, comp-sum losses, that includes cross-entropy (or logistic loss), generalized cross-entropy, the mean absolute error and other cross-entropy-like loss functions. We give the first H-consistency bounds for these loss functions. These are non-asymptotic guarantees that upper bound the zero-one loss estimation error in terms of the estimation error of a surrogate loss, for the specific hypothesis set H used. We further show that our bounds are tight. These bounds depend on quantities called minimizability gaps. To make them more explicit, we give a specific analysis of these gaps for comp-sum losses. We also introduce a new family of loss functions, smooth adversarial comp-sum losses, that are derived from their comp-sum counterparts by adding in a related smooth term. We show that these loss functions are beneficial in the adversarial setting by proving that they admit H-consistency bounds. This leads to new adversarial robustness algorithms that consist of minimizing a regularized smooth adversarial comp-sum loss. While our main purpose is a theoretical analysis, we also present an extensive empirical analysis comparing comp-sum losses. We further report the results of a series of experiments demonstrating that our adversarial robustness algorithms outperform the current state-of-the-art, while also achieving a superior non-adversarial accuracy.

Stochastic Gradient Descent (SGD) stands as a cornerstone optimization algorithm with proven real-world empirical successes but relatively limited theoretical understanding. Recent research has illuminated a key factor contributing to its practical efficacy: the implicit regularization it instigates. Several studies have investigated the linear stability property of SGD in the vicinity of a stationary point as a predictive proxy for sharpness and generalization error in overparameterized neural networks (Wu et al., 2022; Jastrzebski et al., 2019; Cohen et al., 2021). In this paper, we delve deeper into the relationship between linear stability and sharpness. More specifically, we meticulously delineate the necessary and sufficient conditions for linear stability, contingent on hyperparameters of SGD and the sharpness at the optimum. Towards this end, we introduce a novel coherence measure of the loss Hessian that encapsulates pertinent geometric properties of the loss function that are relevant to the linear stability of SGD. It enables us to provide a simplified sufficient condition for identifying linear instability at an optimum. Notably, compared to previous works, our analysis relies on significantly milder assumptions and is applicable for a broader class of loss functions than known before, encompassing not only mean-squared error but also cross-entropy loss.

Risk-averse reinforcement learning finds application in various high-stakes fields. Unlike classical reinforcement learning, which aims to maximize expected returns, risk-averse agents choose policies that minimize risk, occasionally sacrificing expected value. These preferences can be framed through utility theory. We focus on the specific case of the exponential utility function, where we can derive the Bellman equations and employ various reinforcement learning algorithms with few modifications. However, these methods suffer from numerical instability due to the need for exponent computation throughout the process. To address this, we introduce a numerically stable and mathematically sound loss function based on the Itakura-Saito divergence for learning state-value and action-value functions. We evaluate our proposed loss function against established alternatives, both theoretically and empirically. In the experimental section, we explore multiple financial scenarios, some with known analytical solutions, and show that our loss function outperforms the alternatives.

The fine-tuning of pre-trained large language models (LLMs) using reinforcement learning (RL) is generally formulated as direct policy optimization. This approach was naturally favored as it efficiently improves a pretrained LLM, seen as an initial policy. Another RL paradigm, Q-learning methods, has received far less attention in the LLM community while demonstrating major success in various non-LLM RL tasks. In particular, Q-learning effectiveness comes from its sample efficiency and ability to learn offline, which is particularly valuable given the high computational cost of sampling with LLMs. However, naively applying a Q-learning-style update to the model's logits is ineffective due to the specificity of LLMs. Our core contribution is to derive theoretically grounded loss functions from Bellman equations to adapt Q-learning methods to LLMs. To do so, we carefully adapt insights from the RL literature to account for LLM-specific characteristics, ensuring that the logits become reliable Q-value estimates. We then use this loss to build a practical algorithm, ShiQ for Shifted-Q, that supports off-policy, token-wise learning while remaining simple to implement. Finally, we evaluate ShiQ on both synthetic data and real-world benchmarks, e.g., UltraFeedback and BFCL-V3, demonstrating its effectiveness in both single-turn and multi-turn LLM settings

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

Cross-entropy loss and focal loss are the most common choices when training deep neural networks for classification problems. Generally speaking, however, a good loss function can take on much more flexible forms, and should be tailored for different tasks and datasets. Motivated by how functions can be approximated via Taylor expansion, we propose a simple framework, named PolyLoss, to view and design loss functions as a linear combination of polynomial functions. Our PolyLoss allows the importance of different polynomial bases to be easily adjusted depending on the targeting tasks and datasets, while naturally subsuming the aforementioned cross-entropy loss and focal loss as special cases. Extensive experimental results show that the optimal choice within the PolyLoss is indeed dependent on the task and dataset. Simply by introducing one extra hyperparameter and adding one line of code, our Poly-1 formulation outperforms the cross-entropy loss and focal loss on 2D image classification, instance segmentation, object detection, and 3D object detection tasks, sometimes by a large margin.

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

The assessment of safety performance plays a pivotal role in the development and deployment of connected and automated vehicles (CAVs). A common approach involves designing testing scenarios based on prior knowledge of CAVs (e.g., surrogate models), conducting tests in these scenarios, and subsequently evaluating CAVs' safety performances. However, substantial differences between CAVs and the prior knowledge can significantly diminish the evaluation efficiency. In response to this issue, existing studies predominantly concentrate on the adaptive design of testing scenarios during the CAV testing process. Yet, these methods have limitations in their applicability to high-dimensional scenarios. To overcome this challenge, we develop an adaptive testing environment that bolsters evaluation robustness by incorporating multiple surrogate models and optimizing the combination coefficients of these surrogate models to enhance evaluation efficiency. We formulate the optimization problem as a regression task utilizing quadratic programming. To efficiently obtain the regression target via reinforcement learning, we propose the dense reinforcement learning method and devise a new adaptive policy with high sample efficiency. Essentially, our approach centers on learning the values of critical scenes displaying substantial surrogate-to-real gaps. The effectiveness of our method is validated in high-dimensional overtaking scenarios, demonstrating that our approach achieves notable evaluation efficiency.

We consider a deep matrix factorization model of covariance matrices trained with the Bures-Wasserstein distance. While recent works have made important advances in the study of the optimization problem for overparametrized low-rank matrix approximation, much emphasis has been placed on discriminative settings and the square loss. In contrast, our model considers another interesting type of loss and connects with the generative setting. We characterize the critical points and minimizers of the Bures-Wasserstein distance over the space of rank-bounded matrices. For low-rank matrices the Hessian of this loss can theoretically blow up, which creates challenges to analyze convergence of optimizaton methods. We establish convergence results for gradient flow using a smooth perturbative version of the loss and convergence results for finite step size gradient descent under certain assumptions on the initial weights.

Recent studies of gradient descent with large step sizes have shown that there is often a regime with an initial increase in the largest eigenvalue of the loss Hessian (progressive sharpening), followed by a stabilization of the eigenvalue near the maximum value which allows convergence (edge of stability). These phenomena are intrinsically non-linear and do not happen for models in the constant Neural Tangent Kernel (NTK) regime, for which the predictive function is approximately linear in the parameters. As such, we consider the next simplest class of predictive models, namely those that are quadratic in the parameters, which we call second-order regression models. For quadratic objectives in two dimensions, we prove that this second-order regression model exhibits progressive sharpening of the NTK eigenvalue towards a value that differs slightly from the edge of stability, which we explicitly compute. In higher dimensions, the model generically shows similar behavior, even without the specific structure of a neural network, suggesting that progressive sharpening and edge-of-stability behavior aren't unique features of neural networks, and could be a more general property of discrete learning algorithms in high-dimensional non-linear models.

We design learning rate schedules that minimize regret for SGD-based online learning in the presence of a changing data distribution. We fully characterize the optimal learning rate schedule for online linear regression via a novel analysis with stochastic differential equations. For general convex loss functions, we propose new learning rate schedules that are robust to distribution shift, and we give upper and lower bounds for the regret that only differ by constants. For non-convex loss functions, we define a notion of regret based on the gradient norm of the estimated models and propose a learning schedule that minimizes an upper bound on the total expected regret. Intuitively, one expects changing loss landscapes to require more exploration, and we confirm that optimal learning rate schedules typically increase in the presence of distribution shift. Finally, we provide experiments for high-dimensional regression models and neural networks to illustrate these learning rate schedules and their cumulative regret.

Offline optimization has recently emerged as an increasingly popular approach to mitigate the prohibitively expensive cost of online experimentation. The key idea is to learn a surrogate of the black-box function that underlines the target experiment using a static (offline) dataset of its previous input-output queries. Such an approach is, however, fraught with an out-of-distribution issue where the learned surrogate becomes inaccurate outside the offline data regimes. To mitigate this, existing offline optimizers have proposed numerous conditioning techniques to prevent the learned surrogate from being too erratic. Nonetheless, such conditioning strategies are often specific to particular surrogate or search models, which might not generalize to a different model choice. This motivates us to develop a model-agnostic approach instead, which incorporates a notion of model sharpness into the training loss of the surrogate as a regularizer. Our approach is supported by a new theoretical analysis demonstrating that reducing surrogate sharpness on the offline dataset provably reduces its generalized sharpness on unseen data. Our analysis extends existing theories from bounding generalized prediction loss (on unseen data) with loss sharpness to bounding the worst-case generalized surrogate sharpness with its empirical estimate on training data, providing a new perspective on sharpness regularization. Our extensive experimentation on a diverse range of optimization tasks also shows that reducing surrogate sharpness often leads to significant improvement, marking (up to) a noticeable 9.6% performance boost. Our code is publicly available at https://github.com/cuong-dm/IGNITE

We investigate the convergence rates and data sample sizes required for training a machine learning model using a stochastic gradient descent (SGD) algorithm, where data points are sampled based on either their loss value or uncertainty value. These training methods are particularly relevant for active learning and data subset selection problems. For SGD with a constant step size update, we present convergence results for linear classifiers and linearly separable datasets using squared hinge loss and similar training loss functions. Additionally, we extend our analysis to more general classifiers and datasets, considering a wide range of loss-based sampling strategies and smooth convex training loss functions. We propose a novel algorithm called Adaptive-Weight Sampling (AWS) that utilizes SGD with an adaptive step size that achieves stochastic Polyak's step size in expectation. We establish convergence rate results for AWS for smooth convex training loss functions. Our numerical experiments demonstrate the efficiency of AWS on various datasets by using either exact or estimated loss values.

We consider a family of convex quadratic programs in which the coefficients of the linear objective term and the righthand side of the constraints are affine functions of a parameter. It is well known that the solution of such a parametrized quadratic program is a piecewise affine function of the parameter. The number of (polyhedral) regions in the solution map can grow exponentially in problem size, but when the number of regions is moderate, a so-called explicit solver is practical. Such a solver computes the coefficients of the affine functions and the linear inequalities defining the polyhedral regions offline; to solve a problem instance online it simply evaluates this explicit solution map. Potential advantages of an explicit solver over a more general purpose iterative solver can include transparency, interpretability, reliability, and speed. In this paper we describe how code generation can be used to automatically generate an explicit solver from a high level description of a parametrized quadratic program. Our method has been implemented in the open-source software CVXPYgen, which is part of CVXPY, a domain specific language for general convex optimization.

Overfitting widely exists in adversarial robust training of deep networks. An effective remedy is adversarial weight perturbation, which injects the worst-case weight perturbation during network training by maximizing the classification loss on adversarial examples. Adversarial weight perturbation helps reduce the robust generalization gap; however, it also undermines the robustness improvement. A criterion that regulates the weight perturbation is therefore crucial for adversarial training. In this paper, we propose such a criterion, namely Loss Stationary Condition (LSC) for constrained perturbation. With LSC, we find that it is essential to conduct weight perturbation on adversarial data with small classification loss to eliminate robust overfitting. Weight perturbation on adversarial data with large classification loss is not necessary and may even lead to poor robustness. Based on these observations, we propose a robust perturbation strategy to constrain the extent of weight perturbation. The perturbation strategy prevents deep networks from overfitting while avoiding the side effect of excessive weight perturbation, significantly improving the robustness of adversarial training. Extensive experiments demonstrate the superiority of the proposed method over the state-of-the-art adversarial training methods.

We study distributionally robust expected values under optimal transport distance with a quadratic cost function. In general the duality method, for this computation for the payoff function f, requires the computation of the λc-transform f^{λc}. We show that under the quadratic cost function there exists an intuitive and easily implementable representation of f^{λc}, if f is convex and piecewise linear. We apply this to the robust expected shortfall under the risk-neutral measure of an unhedged call option, from the point of view of the writer, as well as that of a portfolio mixing underlying shares with a call and a put option.

A large-scale deep model pre-trained on massive labeled or unlabeled data transfers well to downstream tasks. Linear evaluation freezes parameters in the pre-trained model and trains a linear classifier separately, which is efficient and attractive for transfer. However, little work has investigated the classifier in linear evaluation except for the default logistic regression. Inspired by the statistical efficiency of naive Bayes, the paper revisits the classical topic on discriminative vs. generative classifiers. Theoretically, the paper considers the surrogate loss instead of the zero-one loss in analyses and generalizes the classical results from binary cases to multiclass ones. We show that, under mild assumptions, multiclass naive Bayes requires O(log n) samples to approach its asymptotic error while the corresponding multiclass logistic regression requires O(n) samples, where n is the feature dimension. To establish it, we present a multiclass H-consistency bound framework and an explicit bound for logistic loss, which are of independent interests. Simulation results on a mixture of Gaussian validate our theoretical findings. Experiments on various pre-trained deep vision models show that naive Bayes consistently converges faster as the number of data increases. Besides, naive Bayes shows promise in few-shot cases and we observe the "two regimes" phenomenon in pre-trained supervised models. Our code is available at https://github.com/ML-GSAI/Revisiting-Dis-vs-Gen-Classifiers.

We show that reinforcement learning with verifiable reward using one training example (1-shot RLVR) is effective in incentivizing the math reasoning capabilities of large language models (LLMs). Applying RLVR to the base model Qwen2.5-Math-1.5B, we identify a single example that elevates model performance on MATH500 from 36.0% to 73.6%, and improves the average performance across six common mathematical reasoning benchmarks from 17.6% to 35.7%. This result matches the performance obtained using the 1.2k DeepScaleR subset (MATH500: 73.6%, average: 35.9%), which includes the aforementioned example. Similar substantial improvements are observed across various models (Qwen2.5-Math-7B, Llama3.2-3B-Instruct, DeepSeek-R1-Distill-Qwen-1.5B), RL algorithms (GRPO and PPO), and different math examples (many of which yield approximately 30% or greater improvement on MATH500 when employed as a single training example). In addition, we identify some interesting phenomena during 1-shot RLVR, including cross-domain generalization, increased frequency of self-reflection, and sustained test performance improvement even after the training accuracy has saturated, a phenomenon we term post-saturation generalization. Moreover, we verify that the effectiveness of 1-shot RLVR primarily arises from the policy gradient loss, distinguishing it from the "grokking" phenomenon. We also show the critical role of promoting exploration (e.g., by adding entropy loss with an appropriate coefficient) in 1-shot RLVR training. As a bonus, we observe that applying entropy loss alone, without any outcome reward, significantly enhances Qwen2.5-Math-1.5B's performance on MATH500 by 27.4%. These findings can inspire future work on RLVR data efficiency and encourage a re-examination of both recent progress and the underlying mechanisms in RLVR. Our code, model, and data are open source at https://github.com/ypwang61/One-Shot-RLVR

We propose the first loss function for approximate Nash equilibria of normal-form games that is amenable to unbiased Monte Carlo estimation. This construction allows us to deploy standard non-convex stochastic optimization techniques for approximating Nash equilibria, resulting in novel algorithms with provable guarantees. We complement our theoretical analysis with experiments demonstrating that stochastic gradient descent can outperform previous state-of-the-art approaches.

We introduce Gravity, another algorithm for gradient-based optimization. In this paper, we explain how our novel idea change parameters to reduce the deep learning model's loss. It has three intuitive hyper-parameters that the best values for them are proposed. Also, we propose an alternative to moving average. To compare the performance of the Gravity optimizer with two common optimizers, Adam and RMSProp, five standard datasets were trained on two VGGNet models with a batch size of 128 for 100 epochs. Gravity hyper-parameters did not need to be tuned for different models. As will be explained more in the paper, to investigate the direct impact of the optimizer itself on loss reduction no overfitting prevention technique was used. The obtained results show that the Gravity optimizer has more stable performance than Adam and RMSProp and gives greater values of validation accuracy for datasets with more output classes like CIFAR-100 (Fine).

In RL, given a prompt, we sample a group of completions from a model and score them. Two questions follow: which completions should gain probability mass, and how should the parameters move to realize that change? Standard policy-gradient methods answer both at once, so the update can overshoot or undershoot depending on the learning rate, clipping, and other optimizer choices. We introduce Target Policy Optimization (TPO), which separates the two questions. Given scored completions, TPO constructs a target distribution q_i propto p_i^{,old} exp(u_i) and fits the policy to it by cross-entropy. The loss gradient on sampled-completion logits is p^θ- q, which vanishes once the policy matches the target. On tabular bandits, transformer sequence tasks, and billion-parameter LLM RLVR, TPO matches PG, PPO, GRPO, and DG on easy tasks and substantially outperforms them under sparse reward. Code is available at https://github.com/JeanKaddour/tpo.

When training or evaluating deep learning models, two essential parts are picking the proper loss function and deciding on performance metrics. In this paper, we provide a comprehensive overview of the most common loss functions and metrics used across many different types of deep learning tasks, from general tasks such as regression and classification to more specific tasks in Computer Vision and Natural Language Processing. We introduce the formula for each loss and metric, discuss their strengths and limitations, and describe how these methods can be applied to various problems within deep learning. This work can serve as a reference for researchers and practitioners in the field, helping them make informed decisions when selecting the most appropriate loss function and performance metrics for their deep learning projects.

We focus on the classification problem with a separable dataset, one of the most important and classical problems from machine learning. The standard approach to this task is logistic regression with gradient descent (LR+GD). Recent studies have observed that LR+GD can find a solution with arbitrarily large step sizes, defying conventional optimization theory. Our work investigates this phenomenon and makes three interconnected key observations about LR+GD with large step sizes. First, we find a remarkably simple explanation of why LR+GD with large step sizes solves the classification problem: LR+GD reduces to a batch version of the celebrated perceptron algorithm when the step size gamma to infty. Second, we observe that larger step sizes lead LR+GD to higher logistic losses when it tends to the perceptron algorithm, but larger step sizes also lead to faster convergence to a solution for the classification problem, meaning that logistic loss is an unreliable metric of the proximity to a solution. Surprisingly, high loss values can actually indicate faster convergence. Third, since the convergence rate in terms of loss function values of LR+GD is unreliable, we examine the iteration complexity required by LR+GD with large step sizes to solve the classification problem and prove that this complexity is suboptimal. To address this, we propose a new method, Normalized LR+GD - based on the connection between LR+GD and the perceptron algorithm - with much better theoretical guarantees.

This paper investigates the issue of an adequate loss function in the optimization of machine learning models used in the forecasting of financial time series for the purpose of algorithmic investment strategies (AIS) construction. We propose the Mean Absolute Directional Loss (MADL) function, solving important problems of classical forecast error functions in extracting information from forecasts to create efficient buy/sell signals in algorithmic investment strategies. Finally, based on the data from two different asset classes (cryptocurrencies: Bitcoin and commodities: Crude Oil), we show that the new loss function enables us to select better hyperparameters for the LSTM model and obtain more efficient investment strategies, with regard to risk-adjusted return metrics on the out-of-sample data.

In this work, we consider the optimization process of minibatch stochastic gradient descent (SGD) on a 2-layer neural network with data separated by a quadratic ground truth function. We prove that with data drawn from the d-dimensional Boolean hypercube labeled by the quadratic ``XOR'' function y = -x_ix_j, it is possible to train to a population error o(1) with d :polylog(d) samples. Our result considers simultaneously training both layers of the two-layer-neural network with ReLU activations via standard minibatch SGD on the logistic loss. To our knowledge, this work is the first to give a sample complexity of O(d) for efficiently learning the XOR function on isotropic data on a standard neural network with standard training. Our main technique is showing that the network evolves in two phases: a signal-finding phase where the network is small and many of the neurons evolve independently to find features, and a signal-heavy phase, where SGD maintains and balances the features. We leverage the simultaneous training of the layers to show that it is sufficient for only a small fraction of the neurons to learn features, since those neurons will be amplified by the simultaneous growth of their second layer weights.

We study the effect of mini-batching on the loss landscape of deep neural networks using spiked, field-dependent random matrix theory. We demonstrate that the magnitude of the extremal values of the batch Hessian are larger than those of the empirical Hessian. We also derive similar results for the Generalised Gauss-Newton matrix approximation of the Hessian. As a consequence of our theorems we derive an analytical expressions for the maximal learning rates as a function of batch size, informing practical training regimens for both stochastic gradient descent (linear scaling) and adaptive algorithms, such as Adam (square root scaling), for smooth, non-convex deep neural networks. Whilst the linear scaling for stochastic gradient descent has been derived under more restrictive conditions, which we generalise, the square root scaling rule for adaptive optimisers is, to our knowledge, completely novel. %For stochastic second-order methods and adaptive methods, we derive that the minimal damping coefficient is proportional to the ratio of the learning rate to batch size. We validate our claims on the VGG/WideResNet architectures on the CIFAR-100 and ImageNet datasets. Based on our investigations of the sub-sampled Hessian we develop a stochastic Lanczos quadrature based on the fly learning rate and momentum learner, which avoids the need for expensive multiple evaluations for these key hyper-parameters and shows good preliminary results on the Pre-Residual Architecure for CIFAR-100.

This research enhances linear regression models by integrating a Kalman filter and analysing curve areas to minimize loss. The goal is to develop an optimal linear regression equation using stochastic gradient descent (SGD) for weight updating. Our approach involves a stepwise process, starting with user-defined parameters. The linear regression model is trained using SGD, tracking weights and loss separately and zipping them finally. A Kalman filter is then trained based on weight and loss arrays to predict the next consolidated weights. Predictions result from multiplying input averages with weights, evaluated for loss to form a weight-versus-loss curve. The curve's equation is derived using the two-point formula, and area under the curve is calculated via integration. The linear regression equation with minimum area becomes the optimal curve for prediction. Benefits include avoiding constant weight updates via gradient descent and working with partial datasets, unlike methods needing the entire set. However, computational complexity should be considered. The Kalman filter's accuracy might diminish beyond a certain prediction range.

We consider the solvable neural scaling model with three parameters: data complexity, target complexity, and model-parameter-count. We use this neural scaling model to derive new predictions about the compute-limited, infinite-data scaling law regime. To train the neural scaling model, we run one-pass stochastic gradient descent on a mean-squared loss. We derive a representation of the loss curves which holds over all iteration counts and improves in accuracy as the model parameter count grows. We then analyze the compute-optimal model-parameter-count, and identify 4 phases (+3 subphases) in the data-complexity/target-complexity phase-plane. The phase boundaries are determined by the relative importance of model capacity, optimizer noise, and embedding of the features. We furthermore derive, with mathematical proof and extensive numerical evidence, the scaling-law exponents in all of these phases, in particular computing the optimal model-parameter-count as a function of floating point operation budget.

The loss functions of many learning problems contain multiple additive terms that can disagree and yield conflicting update directions. For Physics-Informed Neural Networks (PINNs), loss terms on initial/boundary conditions and physics equations are particularly interesting as they are well-established as highly difficult tasks. To improve learning the challenging multi-objective task posed by PINNs, we propose the ConFIG method, which provides conflict-free updates by ensuring a positive dot product between the final update and each loss-specific gradient. It also maintains consistent optimization rates for all loss terms and dynamically adjusts gradient magnitudes based on conflict levels. We additionally leverage momentum to accelerate optimizations by alternating the back-propagation of different loss terms. We provide a mathematical proof showing the convergence of the ConFIG method, and it is evaluated across a range of challenging PINN scenarios. ConFIG consistently shows superior performance and runtime compared to baseline methods. We also test the proposed method in a classic multi-task benchmark, where the ConFIG method likewise exhibits a highly promising performance. Source code is available at https://tum-pbs.github.io/ConFIG

Effective regularization techniques are highly desired in deep learning for alleviating overfitting and improving generalization. This work proposes a new regularization scheme, based on the understanding that the flat local minima of the empirical risk cause the model to generalize better. This scheme is referred to as adversarial model perturbation (AMP), where instead of directly minimizing the empirical risk, an alternative "AMP loss" is minimized via SGD. Specifically, the AMP loss is obtained from the empirical risk by applying the "worst" norm-bounded perturbation on each point in the parameter space. Comparing with most existing regularization schemes, AMP has strong theoretical justifications, in that minimizing the AMP loss can be shown theoretically to favour flat local minima of the empirical risk. Extensive experiments on various modern deep architectures establish AMP as a new state of the art among regularization schemes. Our code is available at https://github.com/hiyouga/AMP-Regularizer.

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

Recent research shows that when Gradient Descent (GD) is applied to neural networks, the loss almost never decreases monotonically. Instead, the loss oscillates as gradient descent converges to its ''Edge of Stability'' (EoS). Here, we find a quantity that does decrease monotonically throughout GD training: the sharpness attained by the gradient flow solution (GFS)-the solution that would be obtained if, from now until convergence, we train with an infinitesimal step size. Theoretically, we analyze scalar neural networks with the squared loss, perhaps the simplest setting where the EoS phenomena still occur. In this model, we prove that the GFS sharpness decreases monotonically. Using this result, we characterize settings where GD provably converges to the EoS in scalar networks. Empirically, we show that GD monotonically decreases the GFS sharpness in a squared regression model as well as practical neural network architectures.

A family of loss functions built on pair-based computation have been proposed in the literature which provide a myriad of solutions for deep metric learning. In this paper, we provide a general weighting framework for understanding recent pair-based loss functions. Our contributions are three-fold: (1) we establish a General Pair Weighting (GPW) framework, which casts the sampling problem of deep metric learning into a unified view of pair weighting through gradient analysis, providing a powerful tool for understanding recent pair-based loss functions; (2) we show that with GPW, various existing pair-based methods can be compared and discussed comprehensively, with clear differences and key limitations identified; (3) we propose a new loss called multi-similarity loss (MS loss) under the GPW, which is implemented in two iterative steps (i.e., mining and weighting). This allows it to fully consider three similarities for pair weighting, providing a more principled approach for collecting and weighting informative pairs. Finally, the proposed MS loss obtains new state-of-the-art performance on four image retrieval benchmarks, where it outperforms the most recent approaches, such as ABEKim_2018_ECCV and HTL by a large margin: 60.6% to 65.7% on CUB200, and 80.9% to 88.0% on In-Shop Clothes Retrieval dataset at Recall@1. Code is available at https://github.com/MalongTech/research-ms-loss.

The study on improving the robustness of deep neural networks against adversarial examples grows rapidly in recent years. Among them, adversarial training is the most promising one, which flattens the input loss landscape (loss change with respect to input) via training on adversarially perturbed examples. However, how the widely used weight loss landscape (loss change with respect to weight) performs in adversarial training is rarely explored. In this paper, we investigate the weight loss landscape from a new perspective, and identify a clear correlation between the flatness of weight loss landscape and robust generalization gap. Several well-recognized adversarial training improvements, such as early stopping, designing new objective functions, or leveraging unlabeled data, all implicitly flatten the weight loss landscape. Based on these observations, we propose a simple yet effective Adversarial Weight Perturbation (AWP) to explicitly regularize the flatness of weight loss landscape, forming a double-perturbation mechanism in the adversarial training framework that adversarially perturbs both inputs and weights. Extensive experiments demonstrate that AWP indeed brings flatter weight loss landscape and can be easily incorporated into various existing adversarial training methods to further boost their adversarial robustness.

Regardless of the selected asset class and the level of model complexity (Transformer versus LSTM versus Perceptron/RNN), the GMADL loss function produces superior results than standard MSE-type loss functions and has better numerical properties in the context of optimization than MADL. Better results mean the possibility of achieving a higher risk-weighted return based on buy and sell signals built on forecasts generated by a given theoretical model estimated using the GMADL versus MSE or MADL function. In practice, GMADL solves the problem of selecting the most preferable feature in both classification and regression problems, improving the performance of each estimation. What is important is that, through additional parameterization, GMADL also solves the problem of optimizing investment systems on high-frequency data in such a way that they focus on strategy variants that contain fewer transactions so that transaction costs do not reduce the effectiveness of a given strategy to zero. Moreover, the implementation leverages state-of-the-art machine learning tools, including frameworks for hyperparameter tuning, architecture testing, and walk-forward optimization, ensuring robust and scalable solutions for real-world algorithmic trading.

We propose a simple pairwise sigmoid loss for image-text pre-training. Unlike standard contrastive learning with softmax normalization, the sigmoid loss operates solely on image-text pairs and does not require a global view of the pairwise similarities for normalization. The sigmoid loss simultaneously allows further scaling up the batch size, while also performing better at smaller batch sizes. With only four TPUv4 chips, we can train a Base CLIP model at 4k batch size and a Large LiT model at 20k batch size, the latter achieves 84.5% ImageNet zero-shot accuracy in two days. This disentanglement of the batch size from the loss further allows us to study the impact of examples vs pairs and negative to positive ratio. Finally, we push the batch size to the extreme, up to one million, and find that the benefits of growing batch size quickly diminish, with a more reasonable batch size of 32k being sufficient. We hope our research motivates further explorations in improving the quality and efficiency of language-image pre-training.

In this paper we introduce the SCoRe (Submodular Combinatorial Representation Learning) framework, a novel approach in representation learning that addresses inter-class bias and intra-class variance. SCoRe provides a new combinatorial viewpoint to representation learning, by introducing a family of loss functions based on set-based submodular information measures. We develop two novel combinatorial formulations for loss functions, using the Total Information and Total Correlation, that naturally minimize intra-class variance and inter-class bias. Several commonly used metric/contrastive learning loss functions like supervised contrastive loss, orthogonal projection loss, and N-pairs loss, are all instances of SCoRe, thereby underlining the versatility and applicability of SCoRe in a broad spectrum of learning scenarios. Novel objectives in SCoRe naturally model class-imbalance with up to 7.6\% improvement in classification on CIFAR-10-LT, CIFAR-100-LT, MedMNIST, 2.1% on ImageNet-LT, and 19.4% in object detection on IDD and LVIS (v1.0), demonstrating its effectiveness over existing approaches.

Empirical risk minimization (ERM) with a computationally feasible surrogate loss is a widely accepted approach for classification. Notably, the convexity and calibration (CC) properties of a loss function ensure consistency of ERM in maximizing accuracy, thereby offering a wide range of options for surrogate losses. In this article, we propose a novel ensemble method, namely EnsLoss, which extends the ensemble learning concept to combine loss functions within the ERM framework. A key feature of our method is the consideration on preserving the "legitimacy" of the combined losses, i.e., ensuring the CC properties. Specifically, we first transform the CC conditions of losses into loss-derivatives, thereby bypassing the need for explicit loss functions and directly generating calibrated loss-derivatives. Therefore, inspired by Dropout, EnsLoss enables loss ensembles through one training process with doubly stochastic gradient descent (i.e., random batch samples and random calibrated loss-derivatives). We theoretically establish the statistical consistency of our approach and provide insights into its benefits. The numerical effectiveness of EnsLoss compared to fixed loss methods is demonstrated through experiments on a broad range of 14 OpenML tabular datasets and 46 image datasets with various deep learning architectures. Python repository and source code are available on GitHub at https://github.com/statmlben/ensloss.

In order to train networks for verified adversarial robustness, it is common to over-approximate the worst-case loss over perturbation regions, resulting in networks that attain verifiability at the expense of standard performance. As shown in recent work, better trade-offs between accuracy and robustness can be obtained by carefully coupling adversarial training with over-approximations. We hypothesize that the expressivity of a loss function, which we formalize as the ability to span a range of trade-offs between lower and upper bounds to the worst-case loss through a single parameter (the over-approximation coefficient), is key to attaining state-of-the-art performance. To support our hypothesis, we show that trivial expressive losses, obtained via convex combinations between adversarial attacks and IBP bounds, yield state-of-the-art results across a variety of settings in spite of their conceptual simplicity. We provide a detailed analysis of the relationship between the over-approximation coefficient and performance profiles across different expressive losses, showing that, while expressivity is essential, better approximations of the worst-case loss are not necessarily linked to superior robustness-accuracy trade-offs.

Cross-entropy loss has long been the standard choice for training deep neural networks, yet it suffers from interpretability limitations, unbounded weight growth, and inefficiencies that can contribute to costly training dynamics. The harmonic loss is a distance-based alternative grounded in Euclidean geometry that improves interpretability and mitigates phenomena such as grokking, or delayed generalization on the test set. However, the study of harmonic loss remains narrow: only Euclidean distance is explored, and no systematic evaluation of computational efficiency or sustainability was conducted. We extend harmonic loss by systematically investigating a broad spectrum of distance metrics as replacements for the Euclidean distance. We comprehensively evaluate distance-tailored harmonic losses on both vision backbones and large language models. Our analysis is framed around a three-way evaluation of model performance, interpretability, and sustainability. On vision tasks, cosine distances provide the most favorable trade-off, consistently improving accuracy while lowering carbon emissions, whereas Bray-Curtis and Mahalanobis further enhance interpretability at varying efficiency costs. On language models, cosine-based harmonic losses improve gradient and learning stability, strengthen representation structure, and reduce emissions relative to cross-entropy and Euclidean heads. Our code is available at: https://anonymous.4open.science/r/rethinking-harmonic-loss-5BAB/.

We propose that the grokking phenomenon, where the train loss of a neural network decreases much earlier than its test loss, can arise due to a neural network transitioning from lazy training dynamics to a rich, feature learning regime. To illustrate this mechanism, we study the simple setting of vanilla gradient descent on a polynomial regression problem with a two layer neural network which exhibits grokking without regularization in a way that cannot be explained by existing theories. We identify sufficient statistics for the test loss of such a network, and tracking these over training reveals that grokking arises in this setting when the network first attempts to fit a kernel regression solution with its initial features, followed by late-time feature learning where a generalizing solution is identified after train loss is already low. We provide an asymptotic theoretical description of the grokking dynamics in this model using dynamical mean field theory (DMFT) for high dimensional data. We find that the key determinants of grokking are the rate of feature learning -- which can be controlled precisely by parameters that scale the network output -- and the alignment of the initial features with the target function y(x). We argue this delayed generalization arises when (1) the top eigenvectors of the initial neural tangent kernel and the task labels y(x) are misaligned, but (2) the dataset size is large enough so that it is possible for the network to generalize eventually, but not so large that train loss perfectly tracks test loss at all epochs, and (3) the network begins training in the lazy regime so does not learn features immediately. We conclude with evidence that this transition from lazy (linear model) to rich training (feature learning) can control grokking in more general settings, like on MNIST, one-layer Transformers, and student-teacher networks.

We propose a new class of online learning algorithms, generalized implicit Follow-The-Regularized-Leader (FTRL), that expands the scope of FTRL framework. Generalized implicit FTRL can recover known algorithms, as FTRL with linearized losses and implicit FTRL, and it allows the design of new update rules, as extensions of aProx and Mirror-Prox to FTRL. Our theory is constructive in the sense that it provides a simple unifying framework to design updates that directly improve the worst-case upper bound on the regret. The key idea is substituting the linearization of the losses with a Fenchel-Young inequality. We show the flexibility of the framework by proving that some known algorithms, like the Mirror-Prox updates, are instantiations of the generalized implicit FTRL. Finally, the new framework allows us to recover the temporal variation bound of implicit OMD, with the same computational complexity.

Generalization bounds which assess the difference between the true risk and the empirical risk, have been studied extensively. However, to obtain bounds, current techniques use strict assumptions such as a uniformly bounded or a Lipschitz loss function. To avoid these assumptions, in this paper, we follow an alternative approach: we relax uniform bounds assumptions by using on-average bounded loss and on-average bounded gradient norm assumptions. Following this relaxation, we propose a new generalization bound that exploits the contractivity of the log-Sobolev inequalities. These inequalities add an additional loss-gradient norm term to the generalization bound, which is intuitively a surrogate of the model complexity. We apply the proposed bound on Bayesian deep nets and empirically analyze the effect of this new loss-gradient norm term on different neural architectures.

In the post-pandemic world, manufacturing enterprises face increasing uncertainties, especially with vulnerabilities in global supply chains. Although supply chain management has been extensively studied, the critical influence of decision-makers (DMs) in these systems remains underexplored. This study studies the inventory management problem under risk using the newsvendor model by incorporating DMs risk preferences. By employing the Quantum Monte Carlo (QMC) combined with Quantum Amplitude Estimation (QAE) algorithm, the estimation of probabilities or expectation values can be done more efficiently. This offers near-quadratic speedup compared to classical Monte Carlo methods. Our findings illuminate the intricate relationship between risk-aware decision-making and inventory management, providing essential insights for enhancing supply chain resilience and adaptability in uncertain conditions

We propose training fitted Q-iteration with log-loss (FQI-LOG) for batch reinforcement learning (RL). We show that the number of samples needed to learn a near-optimal policy with FQI-LOG scales with the accumulated cost of the optimal policy, which is zero in problems where acting optimally achieves the goal and incurs no cost. In doing so, we provide a general framework for proving small-cost bounds, i.e. bounds that scale with the optimal achievable cost, in batch RL. Moreover, we empirically verify that FQI-LOG uses fewer samples than FQI trained with squared loss on problems where the optimal policy reliably achieves the goal.

Numerous deep learning applications benefit from multi-task learning with multiple regression and classification objectives. In this paper we make the observation that the performance of such systems is strongly dependent on the relative weighting between each task's loss. Tuning these weights by hand is a difficult and expensive process, making multi-task learning prohibitive in practice. We propose a principled approach to multi-task deep learning which weighs multiple loss functions by considering the homoscedastic uncertainty of each task. This allows us to simultaneously learn various quantities with different units or scales in both classification and regression settings. We demonstrate our model learning per-pixel depth regression, semantic and instance segmentation from a monocular input image. Perhaps surprisingly, we show our model can learn multi-task weightings and outperform separate models trained individually on each task.

Algorithms for online learning typically require one or more boundedness assumptions: that the domain is bounded, that the losses are Lipschitz, or both. In this paper, we develop a new setting for online learning with unbounded domains and non-Lipschitz losses. For this setting we provide an algorithm which guarantees R_{T}(u)le tilde O(G|u|T+L|u|^{2}T) regret on any problem where the subgradients satisfy |g_{t}|le G+L|w_{t}|, and show that this bound is unimprovable without further assumptions. We leverage this algorithm to develop new saddle-point optimization algorithms that converge in duality gap in unbounded domains, even in the absence of meaningful curvature. Finally, we provide the first algorithm achieving non-trivial dynamic regret in an unbounded domain for non-Lipschitz losses, as well as a matching lower bound. The regret of our dynamic regret algorithm automatically improves to a novel L^{*} bound when the losses are smooth.

We seek to understand fundamental tradeoffs between the accuracy of prior information that a learner has on a given problem and its learning performance. We introduce the notion of prioritized risk, which differs from traditional notions of minimax and Bayes risk by allowing us to study such fundamental tradeoffs in settings where reality does not necessarily conform to the learner's prior. We present a general reduction-based approach for extending classical minimax lower-bound techniques in order to lower bound the prioritized risk for statistical estimation problems. We also introduce a novel generalization of Fano's inequality (which may be of independent interest) for lower bounding the prioritized risk in more general settings involving unbounded losses. We illustrate the ability of our framework to provide insights into tradeoffs between prior information and learning performance for problems in estimation, regression, and reinforcement learning.

We present a class of novel optimisers for training neural networks that makes use of the Riemannian metric naturally induced when the loss landscape is embedded in higher-dimensional space. This is the same metric that underlies common visualisations of loss landscapes. By taking this geometric perspective literally and using the induced metric, we develop a new optimiser and compare it to existing methods, namely: SGD, Adam, AdamW, and Muon, across a range of tasks and architectures. Empirically, we conclude that this new class of optimisers is highly effective in low dimensional examples, and provides slight improvement over state-of-the-art methods for training neural networks. These new optimisers have theoretically desirable properties. In particular, the effective learning rate is automatically decreased in regions of high curvature acting as a smoothed out form of gradient clipping. Similarly, one variant of these optimisers can also be viewed as inducing an effective scheduled learning rate and decoupled weight decay is the natural choice from our geometric perspective. The basic method can be used to modify any existing preconditioning method. The new optimiser has a computational complexity comparable to that of Adam.

In today's heavily overparameterized models, the value of the training loss provides few guarantees on model generalization ability. Indeed, optimizing only the training loss value, as is commonly done, can easily lead to suboptimal model quality. Motivated by prior work connecting the geometry of the loss landscape and generalization, we introduce a novel, effective procedure for instead simultaneously minimizing loss value and loss sharpness. In particular, our procedure, Sharpness-Aware Minimization (SAM), seeks parameters that lie in neighborhoods having uniformly low loss; this formulation results in a min-max optimization problem on which gradient descent can be performed efficiently. We present empirical results showing that SAM improves model generalization across a variety of benchmark datasets (e.g., CIFAR-10, CIFAR-100, ImageNet, finetuning tasks) and models, yielding novel state-of-the-art performance for several. Additionally, we find that SAM natively provides robustness to label noise on par with that provided by state-of-the-art procedures that specifically target learning with noisy labels. We open source our code at https://github.com/google-research/sam.

Capturing aleatoric uncertainty is a critical part of many machine learning systems. In deep learning, a common approach to this end is to train a neural network to estimate the parameters of a heteroscedastic Gaussian distribution by maximizing the logarithm of the likelihood function under the observed data. In this work, we examine this approach and identify potential hazards associated with the use of log-likelihood in conjunction with gradient-based optimizers. First, we present a synthetic example illustrating how this approach can lead to very poor but stable parameter estimates. Second, we identify the culprit to be the log-likelihood loss, along with certain conditions that exacerbate the issue. Third, we present an alternative formulation, termed β-NLL, in which each data point's contribution to the loss is weighted by the β-exponentiated variance estimate. We show that using an appropriate β largely mitigates the issue in our illustrative example. Fourth, we evaluate this approach on a range of domains and tasks and show that it achieves considerable improvements and performs more robustly concerning hyperparameters, both in predictive RMSE and log-likelihood criteria.

The non-convexity of the artificial neural network (ANN) training landscape brings inherent optimization difficulties. While the traditional back-propagation stochastic gradient descent (SGD) algorithm and its variants are effective in certain cases, they can become stuck at spurious local minima and are sensitive to initializations and hyperparameters. Recent work has shown that the training of an ANN with ReLU activations can be reformulated as a convex program, bringing hope to globally optimizing interpretable ANNs. However, naively solving the convex training formulation has an exponential complexity, and even an approximation heuristic requires cubic time. In this work, we characterize the quality of this approximation and develop two efficient algorithms that train ANNs with global convergence guarantees. The first algorithm is based on the alternating direction method of multiplier (ADMM). It solves both the exact convex formulation and the approximate counterpart. Linear global convergence is achieved, and the initial several iterations often yield a solution with high prediction accuracy. When solving the approximate formulation, the per-iteration time complexity is quadratic. The second algorithm, based on the "sampled convex programs" theory, is simpler to implement. It solves unconstrained convex formulations and converges to an approximately globally optimal classifier. The non-convexity of the ANN training landscape exacerbates when adversarial training is considered. We apply the robust convex optimization theory to convex training and develop convex formulations that train ANNs robust to adversarial inputs. Our analysis explicitly focuses on one-hidden-layer fully connected ANNs, but can extend to more sophisticated architectures.

While scaling laws provide a reliable methodology for predicting train loss across compute scales for a single data distribution, less is known about how these predictions should change as we change the distribution. In this paper, we derive a strategy for predicting one loss from another and apply it to predict across different pre-training datasets and from pre-training data to downstream task data. Our predictions extrapolate well even at 20x the largest FLOP budget used to fit the curves. More precisely, we find that there are simple shifted power law relationships between (1) the train losses of two models trained on two separate datasets when the models are paired by training compute (train-to-train), (2) the train loss and the test loss on any downstream distribution for a single model (train-to-test), and (3) the test losses of two models trained on two separate train datasets (test-to-test). The results hold up for pre-training datasets that differ substantially (some are entirely code and others have no code at all) and across a variety of downstream tasks. Finally, we find that in some settings these shifted power law relationships can yield more accurate predictions than extrapolating single-dataset scaling laws.

While language models have exceptional capabilities at text generation, they lack a natural inductive bias for emitting numbers and thus struggle in tasks involving reasoning over quantities, especially arithmetics. This has particular relevance in scientific datasets where combinations of text and numerical data are abundant. One fundamental limitation is the nature of the CE loss, which assumes a nominal (categorical) scale and thus cannot convey proximity between generated number tokens. As a remedy, we here present two versions of a number token loss. The first is based on an L_p loss between the ground truth token value and the weighted sum of the predicted class probabilities. The second loss minimizes the Wasserstein-1 distance between the distribution of the predicted output probabilities and the ground truth distribution. These regression-like losses can easily be added to any language model and extend the CE objective during training. We compare the proposed schemes on a mathematics dataset against existing tokenization, encoding, and decoding schemes for improving number representation in language models. Our results reveal a significant improvement in numerical accuracy when equipping a standard T5 model with the proposed loss schemes.

In distributed deep learning with data parallelism, synchronizing gradients at each training step can cause a huge communication overhead, especially when many nodes work together to train large models. Local gradient methods, such as Local SGD, address this issue by allowing workers to compute locally for H steps without synchronizing with others, hence reducing communication frequency. While H has been viewed as a hyperparameter to trade optimization efficiency for communication cost, recent research indicates that setting a proper H value can lead to generalization improvement. Yet, selecting a proper H is elusive. This work proposes a theory-grounded method for determining H, named the Quadratic Synchronization Rule (QSR), which recommends dynamically setting H in proportion to 1{eta^2} as the learning rate eta decays over time. Extensive ImageNet experiments on ResNet and ViT show that local gradient methods with QSR consistently improve the test accuracy over other synchronization strategies. Compared with the standard data parallel training, QSR enables Local AdamW on ViT-B to cut the training time on 16 or 64 GPUs down from 26.7 to 20.2 hours or from 8.6 to 5.5 hours and, at the same time, achieves 1.16% or 0.84% higher top-1 validation accuracy.

In this work, we study the evolution of the loss Hessian across many classification tasks in order to understand the effect the curvature of the loss has on the training dynamics. Whereas prior work has focused on how different learning rates affect the loss Hessian observed during training, we also analyze the effects of model initialization, architectural choices, and common training heuristics such as gradient clipping and learning rate warmup. Our results demonstrate that successful model and hyperparameter choices allow the early optimization trajectory to either avoid -- or navigate out of -- regions of high curvature and into flatter regions that tolerate a higher learning rate. Our results suggest a unifying perspective on how disparate mitigation strategies for training instability ultimately address the same underlying failure mode of neural network optimization, namely poor conditioning. Inspired by the conditioning perspective, we show that learning rate warmup can improve training stability just as much as batch normalization, layer normalization, MetaInit, GradInit, and Fixup initialization.

Optimization plays a costly and crucial role in developing machine learning systems. In learned optimizers, the few hyperparameters of commonly used hand-designed optimizers, e.g. Adam or SGD, are replaced with flexible parametric functions. The parameters of these functions are then optimized so that the resulting learned optimizer minimizes a target loss on a chosen class of models. Learned optimizers can both reduce the number of required training steps and improve the final test loss. However, they can be expensive to train, and once trained can be expensive to use due to computational and memory overhead for the optimizer itself. In this work, we identify and quantify the design features governing the memory, compute, and performance trade-offs for many learned and hand-designed optimizers. We further leverage our analysis to construct a learned optimizer that is both faster and more memory efficient than previous work. Our model and training code are open source.

Time Series Forecasting has been an active area of research due to its many applications ranging from network usage prediction, resource allocation, anomaly detection, and predictive maintenance. Numerous publications published in the last five years have proposed diverse sets of objective loss functions to address cases such as biased data, long-term forecasting, multicollinear features, etc. In this paper, we have summarized 14 well-known regression loss functions commonly used for time series forecasting and listed out the circumstances where their application can aid in faster and better model convergence. We have also demonstrated how certain categories of loss functions perform well across all data sets and can be considered as a baseline objective function in circumstances where the distribution of the data is unknown. Our code is available at GitHub: https://github.com/aryan-jadon/Regression-Loss-Functions-in-Time-Series-Forecasting-Tensorflow.

Alternating Direction Method of Multipliers (ADMM) has been used successfully in many conventional machine learning applications and is considered to be a useful alternative to Stochastic Gradient Descent (SGD) as a deep learning optimizer. However, as an emerging domain, several challenges remain, including 1) The lack of global convergence guarantees, 2) Slow convergence towards solutions, and 3) Cubic time complexity with regard to feature dimensions. In this paper, we propose a novel optimization framework for deep learning via ADMM (dlADMM) to address these challenges simultaneously. The parameters in each layer are updated backward and then forward so that the parameter information in each layer is exchanged efficiently. The time complexity is reduced from cubic to quadratic in (latent) feature dimensions via a dedicated algorithm design for subproblems that enhances them utilizing iterative quadratic approximations and backtracking. Finally, we provide the first proof of global convergence for an ADMM-based method (dlADMM) in a deep neural network problem under mild conditions. Experiments on benchmark datasets demonstrated that our proposed dlADMM algorithm outperforms most of the comparison methods.

The goal of face recognition (FR) can be viewed as a pair similarity optimization problem, maximizing a similarity set S^p over positive pairs, while minimizing similarity set S^n over negative pairs. Ideally, it is expected that FR models form a well-discriminative feature space (WDFS) that satisfies mathcal{S^p} > mathcal{S^n}. With regard to WDFS, the existing deep feature learning paradigms (i.e., metric and classification losses) can be expressed as a unified perspective on different pair generation (PG) strategies. Unfortunately, in the metric loss (ML), it is infeasible to generate negative pairs taking all classes into account in each iteration because of the limited mini-batch size. In contrast, in classification loss (CL), it is difficult to generate extremely hard negative pairs owing to the convergence of the class weight vectors to their center. This leads to a mismatch between the two similarity distributions of the sampled pairs and all negative pairs. Thus, this paper proposes a unified negative pair generation (UNPG) by combining two PG strategies (i.e., MLPG and CLPG) from a unified perspective to alleviate the mismatch. UNPG introduces useful information about negative pairs using MLPG to overcome the CLPG deficiency. Moreover, it includes filtering the similarities of noisy negative pairs to guarantee reliable convergence and improved performance. Exhaustive experiments show the superiority of UNPG by achieving state-of-the-art performance across recent loss functions on public benchmark datasets. Our code and pretrained models are publicly available.

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.

Deep Learning is evolving fast and integrates into various domains. Finance is a challenging field for deep learning, especially in the case of interpretable artificial intelligence (AI). Although classical approaches perform very well with natural language processing, computer vision, and forecasting, they are not perfect for the financial world, in which specialists use different metrics to evaluate model performance. We first introduce financially grounded loss functions derived from key quantitative finance metrics, including the Sharpe ratio, Profit-and-Loss (PnL), and Maximum Draw down. Additionally, we propose turnover regularization, a method that inherently constrains the turnover of generated positions within predefined limits. Our findings demonstrate that the proposed loss functions, in conjunction with turnover regularization, outperform the traditional mean squared error loss for return prediction tasks when evaluated using algorithmic trading metrics. The study shows that financially grounded metrics enhance predictive performance in trading strategies and portfolio optimization.

Loss of plasticity is a phenomenon where neural networks become more difficult to train during the course of learning. Continual learning algorithms seek to mitigate this effect by sustaining good predictive performance while maintaining network trainability. We develop new techniques for improving continual learning by first reconsidering how initialization can ensure trainability during early phases of learning. From this perspective, we derive new regularization strategies for continual learning that ensure beneficial initialization properties are better maintained throughout training. In particular, we investigate two new regularization techniques for continual learning: (i) Wasserstein regularization toward the initial weight distribution, which is less restrictive than regularizing toward initial weights; and (ii) regularizing weight matrix singular values, which directly ensures gradient diversity is maintained throughout training. We present an experimental analysis that shows these alternative regularizers can improve continual learning performance across a range of supervised learning tasks and model architectures. The alternative regularizers prove to be less sensitive to hyperparameters while demonstrating better training in individual tasks, sustaining trainability as new tasks arrive, and achieving better generalization performance.

We propose a penalized nonparametric approach to estimating the quantile regression process (QRP) in a nonseparable model using rectifier quadratic unit (ReQU) activated deep neural networks and introduce a novel penalty function to enforce non-crossing of quantile regression curves. We establish the non-asymptotic excess risk bounds for the estimated QRP and derive the mean integrated squared error for the estimated QRP under mild smoothness and regularity conditions. To establish these non-asymptotic risk and estimation error bounds, we also develop a new error bound for approximating C^s smooth functions with s >0 and their derivatives using ReQU activated neural networks. This is a new approximation result for ReQU networks and is of independent interest and may be useful in other problems. Our numerical experiments demonstrate that the proposed method is competitive with or outperforms two existing methods, including methods using reproducing kernels and random forests, for nonparametric quantile regression.

The quadratic computational complexity in the self-attention mechanism of popular transformer architectures poses significant challenges for training and inference, particularly in terms of efficiency and memory requirements. Towards addressing these challenges, this paper introduces a novel fast computation method for gradient calculation in multi-layer transformer models. Our approach enables the computation of gradients for the entire multi-layer transformer model in almost linear time n^{1+o(1)}, where n is the input sequence length. This breakthrough significantly reduces the computational bottleneck associated with the traditional quadratic time complexity. Our theory holds for any loss function and maintains a bounded approximation error across the entire model. Furthermore, our analysis can hold when the multi-layer transformer model contains many practical sub-modules, such as residual connection, casual mask, and multi-head attention. By improving the efficiency of gradient computation in large language models, we hope that our work will facilitate the more effective training and deployment of long-context language models based on our theoretical results.

Scaling law principles indicate a power-law correlation between loss and variables such as model size, dataset size, and computational resources utilized during training. These principles play a vital role in optimizing various aspects of model pre-training, ultimately contributing to the success of large language models such as GPT-4, Llama and Gemini. However, the original scaling law paper by OpenAI did not disclose the complete details necessary to derive the precise scaling law formulas, and their conclusions are only based on models containing up to 1.5 billion parameters. Though some subsequent works attempt to unveil these details and scale to larger models, they often neglect the training dependency of important factors such as the learning rate, context length and batch size, leading to their failure to establish a reliable formula for predicting the test loss trajectory. In this technical report, we confirm that the scaling law formulations proposed in the original OpenAI paper remain valid when scaling the model size up to 33 billion, but the constant coefficients in these formulas vary significantly with the experiment setup. We meticulously identify influential factors and provide transparent, step-by-step instructions to estimate all constant terms in scaling-law formulas by training on models with only 1M~60M parameters. Using these estimated formulas, we showcase the capability to accurately predict various attributes for models with up to 33B parameters before their training, including (1) the minimum possible test loss; (2) the minimum required training steps and processed tokens to achieve a specific loss; (3) the critical batch size with an optimal time/computation trade-off at any loss value; and (4) the complete test loss trajectory with arbitrary batch size.

In most machine learning tasks, we evaluate a model M on a given data population S by measuring a population-level metric F(S;M). Examples of such evaluation metric F include precision/recall for (binary) recognition, the F1 score for multi-class classification, and the BLEU metric for language generation. On the other hand, the model M is trained by optimizing a sample-level loss G(S_t;M) at each learning step t, where S_t is a subset of S (a.k.a. the mini-batch). Popular choices of G include cross-entropy loss, the Dice loss, and sentence-level BLEU scores. A fundamental assumption behind this paradigm is that the mean value of the sample-level loss G, if averaged over all possible samples, should effectively represent the population-level metric F of the task, such as, that E[ G(S_t;M) ] approx F(S;M). In this paper, we systematically investigate the above assumption in several NLP tasks. We show, both theoretically and experimentally, that some popular designs of the sample-level loss G may be inconsistent with the true population-level metric F of the task, so that models trained to optimize the former can be substantially sub-optimal to the latter, a phenomenon we call it, Simpson's bias, due to its deep connections with the classic paradox known as Simpson's reversal paradox in statistics and social sciences.

Representation learning methods have revolutionized machine learning on networks by converting discrete network structures into continuous domains. However, dynamic networks that evolve over time pose new challenges. To address this, dynamic representation learning methods have gained attention, offering benefits like reduced learning time and improved accuracy by utilizing temporal information. T-batching is a valuable technique for training dynamic network models that reduces training time while preserving vital conditions for accurate modeling. However, we have identified a limitation in the training loss function used with t-batching. Through mathematical analysis, we propose two alternative loss functions that overcome these issues, resulting in enhanced training performance. We extensively evaluate the proposed loss functions on synthetic and real-world dynamic networks. The results consistently demonstrate superior performance compared to the original loss function. Notably, in a real-world network characterized by diverse user interaction histories, the proposed loss functions achieved more than 26.9% enhancement in Mean Reciprocal Rank (MRR) and more than 11.8% improvement in Recall@10. These findings underscore the efficacy of the proposed loss functions in dynamic network modeling.

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.

A number of computer vision deep regression approaches report improved results when adding a classification loss to the regression loss. Here, we explore why this is useful in practice and when it is beneficial. To do so, we start from precisely controlled dataset variations and data samplings and find that the effect of adding a classification loss is the most pronounced for regression with imbalanced data. We explain these empirical findings by formalizing the relation between the balanced and imbalanced regression losses. Finally, we show that our findings hold on two real imbalanced image datasets for depth estimation (NYUD2-DIR), and age estimation (IMDB-WIKI-DIR), and on the problem of imbalanced video progress prediction (Breakfast). Our main takeaway is: for a regression task, if the data sampling is imbalanced, then add a classification loss.

Learning to Rank (LTR) algorithms are usually evaluated using Information Retrieval metrics like Normalised Discounted Cumulative Gain (NDCG) or Mean Average Precision. As these metrics rely on sorting predicted items' scores (and thus, on items' ranks), their derivatives are either undefined or zero everywhere. This makes them unsuitable for gradient-based optimisation, which is the usual method of learning appropriate scoring functions. Commonly used LTR loss functions are only loosely related to the evaluation metrics, causing a mismatch between the optimisation objective and the evaluation criterion. In this paper, we address this mismatch by proposing NeuralNDCG, a novel differentiable approximation to NDCG. Since NDCG relies on the non-differentiable sorting operator, we obtain NeuralNDCG by relaxing that operator using NeuralSort, a differentiable approximation of sorting. As a result, we obtain a new ranking loss function which is an arbitrarily accurate approximation to the evaluation metric, thus closing the gap between the training and the evaluation of LTR models. We introduce two variants of the proposed loss function. Finally, the empirical evaluation shows that our proposed method outperforms previous work aimed at direct optimisation of NDCG and is competitive with the state-of-the-art methods.

In deep metric learning, the Triplet Loss has emerged as a popular method to learn many computer vision and natural language processing tasks such as facial recognition, object detection, and visual-semantic embeddings. One issue that plagues the Triplet Loss is network collapse, an undesirable phenomenon where the network projects the embeddings of all data onto a single point. Researchers predominately solve this problem by using triplet mining strategies. While hard negative mining is the most effective of these strategies, existing formulations lack strong theoretical justification for their empirical success. In this paper, we utilize the mathematical theory of isometric approximation to show an equivalence between the Triplet Loss sampled by hard negative mining and an optimization problem that minimizes a Hausdorff-like distance between the neural network and its ideal counterpart function. This provides the theoretical justifications for hard negative mining's empirical efficacy. In addition, our novel application of the isometric approximation theorem provides the groundwork for future forms of hard negative mining that avoid network collapse. Our theory can also be extended to analyze other Euclidean space-based metric learning methods like Ladder Loss or Contrastive Learning.

Adaptive optimization methods are widely recognized as among the most popular approaches for training Deep Neural Networks (DNNs). Techniques such as Adam, AdaGrad, and AdaHessian utilize a preconditioner that modifies the search direction by incorporating information about the curvature of the objective function. However, despite their adaptive characteristics, these methods still require manual fine-tuning of the step-size. This, in turn, impacts the time required to solve a particular problem. This paper presents an optimization framework named SANIA to tackle these challenges. Beyond eliminating the need for manual step-size hyperparameter settings, SANIA incorporates techniques to address poorly scaled or ill-conditioned problems. We also explore several preconditioning methods, including Hutchinson's method, which approximates the Hessian diagonal of the loss function. We conclude with an extensive empirical examination of the proposed techniques across classification tasks, covering both convex and non-convex contexts.

A primary cost driver for training large models is wall-clock training time. We show that popular time estimates based on FLOPs are poor estimates, and construct a more accurate proxy based on memory copies. We show that with some simple accounting, we can estimate the training speed of a transformer model from its hyperparameters. Combined with a scaling law curve like Chinchilla, this lets us estimate the final loss of the model. We fit our estimate to real data with a linear regression, and apply the result to rewrite Chinchilla in terms of a model's estimated training time as opposed to the amount of training data. This gives an expression for the loss in terms of the model's hyperparameters alone. We show that this expression is accurate across a wide range of model hyperparameter values, enabling us to analytically make architectural decisions and train models more efficiently.

Risk scores are simple classification models that let users make quick risk predictions by adding and subtracting a few small numbers. These models are widely used in medicine and criminal justice, but are difficult to learn from data because they need to be calibrated, sparse, use small integer coefficients, and obey application-specific operational constraints. In this paper, we present a new machine learning approach to learn risk scores. We formulate the risk score problem as a mixed integer nonlinear program, and present a cutting plane algorithm for non-convex settings to efficiently recover its optimal solution. We improve our algorithm with specialized techniques to generate feasible solutions, narrow the optimality gap, and reduce data-related computation. Our approach can fit risk scores in a way that scales linearly in the number of samples, provides a certificate of optimality, and obeys real-world constraints without parameter tuning or post-processing. We benchmark the performance benefits of this approach through an extensive set of numerical experiments, comparing to risk scores built using heuristic approaches. We also discuss its practical benefits through a real-world application where we build a customized risk score for ICU seizure prediction in collaboration with the Massachusetts General Hospital.

The quality of many modern machine learning models improves as model complexity increases, an effect that has been quantified, for predictive performance, with the non-monotonic double descent learning curve. Here, we address the overarching question: is there an analogous theory of double descent for models which estimate uncertainty? We provide a partially affirmative and partially negative answer in the setting of Gaussian processes (GP). Under standard assumptions, we prove that higher model quality for optimally-tuned GPs (including uncertainty prediction) under marginal likelihood is realized for larger input dimensions, and therefore exhibits a monotone error curve. After showing that marginal likelihood does not naturally exhibit double descent in the input dimension, we highlight related forms of posterior predictive loss that do exhibit non-monotonicity. Finally, we verify empirically that our results hold for real data, beyond our considered assumptions, and we explore consequences involving synthetic covariates.

Many evaluation metrics can be used to assess the performance of models in binary classification tasks. However, most of them are derived from a confusion matrix in a non-differentiable form, making it very difficult to generate a differentiable loss function that could directly optimize them. The lack of solutions to bridge this challenge not only hinders our ability to solve difficult tasks, such as imbalanced learning, but also requires the deployment of computationally expensive hyperparameter search processes in model selection. In this paper, we propose a general-purpose approach that transforms any confusion matrix-based metric into a loss function, AnyLoss, that is available in optimization processes. To this end, we use an approximation function to make a confusion matrix represented in a differentiable form, and this approach enables any confusion matrix-based metric to be directly used as a loss function. The mechanism of the approximation function is provided to ensure its operability and the differentiability of our loss functions is proved by suggesting their derivatives. We conduct extensive experiments under diverse neural networks with many datasets, and we demonstrate their general availability to target any confusion matrix-based metrics. Our method, especially, shows outstanding achievements in dealing with imbalanced datasets, and its competitive learning speed, compared to multiple baseline models, underscores its efficiency.

Offline reinforcement learning (RL), where the agent aims to learn the optimal policy based on the data collected by a behavior policy, has attracted increasing attention in recent years. While offline RL with linear function approximation has been extensively studied with optimal results achieved under certain assumptions, many works shift their interest to offline RL with non-linear function approximation. However, limited works on offline RL with non-linear function approximation have instance-dependent regret guarantees. In this paper, we propose an oracle-efficient algorithm, dubbed Pessimistic Nonlinear Least-Square Value Iteration (PNLSVI), for offline RL with non-linear function approximation. Our algorithmic design comprises three innovative components: (1) a variance-based weighted regression scheme that can be applied to a wide range of function classes, (2) a subroutine for variance estimation, and (3) a planning phase that utilizes a pessimistic value iteration approach. Our algorithm enjoys a regret bound that has a tight dependency on the function class complexity and achieves minimax optimal instance-dependent regret when specialized to linear function approximation. Our work extends the previous instance-dependent results within simpler function classes, such as linear and differentiable function to a more general framework.

Reinforcement Learning with Verifiable Rewards (RLVR) is commonly based on group sampling to estimate advantages and stabilize policy updates. In practice, large group sizes are not feasible due to computational limits, which biases learning toward trajectories that are already likely. Smaller groups often miss rare-correct trajectories while still containing mixed rewards, concentrating probability on common solutions. We derive the probability that updates miss rare-correct modes as a function of group size, showing non-monotonic behavior, and characterize how updates redistribute mass within the correct set, revealing that unsampled-correct mass can shrink even as total correct mass grows. Motivated by this analysis, we propose a difficulty-aware advantage scaling coefficient, inspired by Focal loss, that down-weights updates on high-success prompts. The lightweight modification can be directly integrated into any group-relative RLVR algorithm such as GRPO, DAPO, and CISPO. On Qwen2.5-7B across in-domain and out-of-domain benchmarks, our method improves pass@256 from 64.1 rightarrow 70.3 (GRPO), 69.3 rightarrow 72.5 (DAPO), and 73.2 rightarrow 76.8 (CISPO), while preserving or improving pass@1, without increasing group size or computational cost.

There have been numerous attempts to distill quadratic attention-based large language models (LLMs) into sub-quadratic linearized architectures. However, despite extensive research, such distilled models often fail to match the performance of their teacher LLMs on various downstream tasks. We set out the goal of lossless distillation, which we define in terms of tolerance-corrected Win-and-Tie rates between student and teacher on sets of tasks. To this end, we introduce an effective distillation pipeline for xLSTM-based students. We propose an additional merging stage, where individually linearized experts are combined into a single model. We show the effectiveness of this pipeline by distilling base and instruction-tuned models from the Llama, Qwen, and Olmo families. In many settings, our xLSTM-based students recover most of the teacher's performance, and even exceed it on some downstream tasks. Our contributions are an important step towards more energy-efficient and cost-effective replacements for transformer-based LLMs.