Daily Papers

We present a bottom-up differentiable relaxation of the process of drawing points, lines and curves into a pixel raster. Our approach arises from the observation that rasterising a pixel in an image given parameters of a primitive can be reformulated in terms of the primitive's distance transform, and then relaxed to allow the primitive's parameters to be learned. This relaxation allows end-to-end differentiable programs and deep networks to be learned and optimised and provides several building blocks that allow control over how a compositional drawing process is modelled. We emphasise the bottom-up nature of our proposed approach, which allows for drawing operations to be composed in ways that can mimic the physical reality of drawing rather than being tied to, for example, approaches in modern computer graphics. With the proposed approach we demonstrate how sketches can be generated by directly optimising against photographs and how auto-encoders can be built to transform rasterised handwritten digits into vectors without supervision. Extensive experimental results highlight the power of this approach under different modelling assumptions for drawing tasks.

Recent work has exposed the vulnerability of computer vision models to vector field attacks. Due to the widespread usage of such models in safety-critical applications, it is crucial to quantify their robustness against such spatial transformations. However, existing work only provides empirical robustness quantification against vector field deformations via adversarial attacks, which lack provable guarantees. In this work, we propose novel convex relaxations, enabling us, for the first time, to provide a certificate of robustness against vector field transformations. Our relaxations are model-agnostic and can be leveraged by a wide range of neural network verifiers. Experiments on various network architectures and different datasets demonstrate the effectiveness and scalability of our method.

Recently, significant progress has been made in protein-ligand docking, especially in modern deep learning methods, and some benchmarks were proposed, e.g., PoseBench, Plinder. However, these benchmarks suffer from less practical evaluation setups (e.g., blind docking, self docking), or heavy framework that involves training, raising challenges to assess docking methods efficiently. To fill this gap, we proposed PoseX, an open-source benchmark focusing on self-docking and cross-docking, to evaluate the algorithmic advances practically and comprehensively. Specifically, first, we curate a new evaluation dataset with 718 entries for self docking and 1,312 for cross docking; second, we incorporate 22 docking methods across three methodological categories, including (1) traditional physics-based methods (e.g., Schr\"odinger Glide), (2) AI docking methods (e.g., DiffDock), (3) AI co-folding methods (e.g., AlphaFold3); third, we design a relaxation method as post-processing to minimize conformation energy and refine binding pose; fourth, we released a leaderboard to rank submitted models in real time. We draw some key insights via extensive experiments: (1) AI-based approaches have already surpassed traditional physics-based approaches in overall docking accuracy (RMSD). The longstanding generalization issues that have plagued AI molecular docking have been significantly alleviated in the latest models. (2) The stereochemical deficiencies of AI-based approaches can be greatly alleviated with post-processing relaxation. Combining AI docking methods with the enhanced relaxation method achieves the best performance to date. (3) AI co-folding methods commonly face ligand chirality issues, which cannot be resolved by relaxation. The code, curated dataset and leaderboard are released at https://github.com/CataAI/PoseX.

Combinatorial problems are a common challenge in business, requiring finding optimal solutions under specified constraints. While significant progress has been made with variational approaches such as QAOA, most problems addressed are unconstrained (such as Max-Cut). In this study, we investigate a hybrid quantum-classical method for constrained optimization problems, particularly those with knapsack constraints that occur frequently in financial and supply chain applications. Our proposed method relies firstly on relaxations to local quantum Hamiltonians, defined through commutative maps. Drawing inspiration from quantum random access code (QRAC) concepts, particularly Quantum Random Access Optimizer (QRAO), we explore QRAO's potential in solving large constrained optimization problems. We employ classical techniques like Linear Relaxation as a presolve mechanism to handle constraints and cope further with scalability. We compare our approach with QAOA and present the final results for a real-world procurement optimization problem: a significant sized multi-knapsack-constrained problem.

Understanding and interpreting dynamics of functional materials in situ is a grand challenge in physics and materials science due to the difficulty of experimentally probing materials at varied length and time scales. X-ray photon correlation spectroscopy (XPCS) is uniquely well-suited for characterizing materials dynamics over wide-ranging time scales, however spatial and temporal heterogeneity in material behavior can make interpretation of experimental XPCS data difficult. In this work we have developed an unsupervised deep learning (DL) framework for automated classification and interpretation of relaxation dynamics from experimental data without requiring any prior physical knowledge of the system behavior. We demonstrate how this method can be used to rapidly explore large datasets to identify samples of interest, and we apply this approach to directly correlate bulk properties of a model system to microscopic dynamics. Importantly, this DL framework is material and process agnostic, marking a concrete step towards autonomous materials discovery.

Feature selection in deep learning remains a critical challenge, particularly for high-dimensional tabular data where interpretability and computational efficiency are paramount. We present GFSNetwork, a novel neural architecture that performs differentiable feature selection through temperature-controlled Gumbel-Sigmoid sampling. Unlike traditional methods, where the user has to define the requested number of features, GFSNetwork selects it automatically during an end-to-end process. Moreover, GFSNetwork maintains constant computational overhead regardless of the number of input features. We evaluate GFSNetwork on a series of classification and regression benchmarks, where it consistently outperforms recent methods including DeepLasso, attention maps, as well as traditional feature selectors, while using significantly fewer features. Furthermore, we validate our approach on real-world metagenomic datasets, demonstrating its effectiveness in high-dimensional biological data. Concluding, our method provides a scalable solution that bridges the gap between neural network flexibility and traditional feature selection interpretability. We share our python implementation of GFSNetwork at https://github.com/wwydmanski/GFSNetwork, as well as a PyPi package (gfs_network).

Temporal Action Detection (TAD) requires precise localization of action boundaries within long, untrimmed video sequences. While current high-performing methods achieve strong accuracy, they are often characterized by excessive parameter counts, substantial computational overhead, and a reliance on specialized operators that hinder deployment across diverse hardware platforms. This paper presents LiquidTAD, a framework that distills the exponential relaxation prior of liquid neural dynamics into a parallel temporal operator, rather than reproducing full Liquid Neural Network (LNN) dynamics. By introducing a Parallel Liquid-inspired Relaxation mechanism, sequential ODE solving is avoided through a fully vectorized, non-recursive formulation built entirely upon standard neural operations, enabling hardware-agnostic deployment with linear complexity with respect to the temporal length. A complementary Hierarchical Decay-Rate Sharing Strategy further adapts this relaxation prior across feature pyramid levels, stabilizing optimization and implicitly compensating for temporal compression in deeper layers. Experimental evaluations on THUMOS-14 and ActivityNet-1.3 demonstrate that LiquidTAD achieves accuracy competitive with strong baselines while substantially lowering the model footprint. Specifically, on THUMOS-14, LiquidTAD achieves 69.46\% average mAP with only 10.82M parameters and 27.17G FLOPs, reducing the parameter count by over 60\% compared with ActionFormer.

Plasma modeling is central to the design of nuclear fusion reactors, yet simulating collisional plasma kinetics from first principles remains a formidable computational challenge: the Vlasov-Maxwell-Landau (VML) system describes six-dimensional phase-space transport under self-consistent electromagnetic fields together with the nonlinear, nonlocal Landau collision operator. A recent deterministic particle method for the full VML system estimates the velocity score function via the blob method, a kernel-based approximation with O(n^2) cost. In this work, we replace the blob score estimator with score-based transport modeling (SBTM), in which a neural network is trained on-the-fly via implicit score matching at O(n) cost. We prove that the approximated collision operator preserves momentum and kinetic energy, and dissipates an estimated entropy. We also characterize the unique global steady state of the VML system and its electrostatic reduction, providing the ground truth for numerical validation. On three canonical benchmarks -- Landau damping, two-stream instability, and Weibel instability -- SBTM is more accurate than the blob method, achieves correct long-time relaxation to Maxwellian equilibrium where the blob method fails, and delivers 50% faster runtime with 4times lower peak memory.

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.

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

We propose an abstract framework to establish the convergence of the iterates of stochastic versions of a broad range of monotone operator splitting methods in Hilbert spaces. This framework allows for the introduction of stochasticity at several levels: approximation of operators, selection of coordinates and operators in block-iterative implementations, and relaxation parameters. The proposed analysis involves a reduced inclusion model with two operators. At each iteration, stochastic approximations to points in the graphs of these two operators are used to form the update. The results are applied to derive the almost sure and L^2 convergence of stochastic versions of the proximal point algorithm, as well as of randomized block-iterative projective splitting methods for solving systems of coupled inclusions involving a mix of set-valued, cocoercive, and Lipschitzian monotone operators combined via various monotonicity-preserving operations.

A model to investigate Thermally Stimulated Depolarization Current (TSDC) peak parameters using the dipole-dipole interaction concept is proposed by the author in this work. The proposed model describe the (TSDC) peak successfully since it gives a significant peak parameters (i.e. Activation energy (E) and the per-exponential factor (\tau_0) in addition to the dipole-dipole interaction strength parameter (di). Application of this model to determine the peak parameters of polyvinyl chloride(PVC) polymer is presented . The results show how the model fit the experimental thermal sampling data. Finally the results are compared to the well know techniques; the initial rise method (IR), the half width method (HW) in addition to the Cowell and Woods analysis.

Adversarial training is well-known to produce high-quality neural network models that are empirically robust against adversarial perturbations. Nevertheless, once a model has been adversarially trained, one often desires a certification that the model is truly robust against all future attacks. Unfortunately, when faced with adversarially trained models, all existing approaches have significant trouble making certifications that are strong enough to be practically useful. Linear programming (LP) techniques in particular face a "convex relaxation barrier" that prevent them from making high-quality certifications, even after refinement with mixed-integer linear programming (MILP) and branch-and-bound (BnB) techniques. In this paper, we propose a nonconvex certification technique, based on a low-rank restriction of a semidefinite programming (SDP) relaxation. The nonconvex relaxation makes strong certifications comparable to much more expensive SDP methods, while optimizing over dramatically fewer variables comparable to much weaker LP methods. Despite nonconvexity, we show how off-the-shelf local optimization algorithms can be used to achieve and to certify global optimality in polynomial time. Our experiments find that the nonconvex relaxation almost completely closes the gap towards exact certification of adversarially trained models.

We present an ultra-fast and flexible search algorithm that enables search over trillion-scale natural language corpora in under 0.3 seconds while handling semantic variations (substitution, insertion, and deletion). Our approach employs string matching based on suffix arrays that scales well with corpus size. To mitigate the combinatorial explosion induced by the semantic relaxation of queries, our method is built on two key algorithmic ideas: fast exact lookup enabled by a disk-aware design, and dynamic corpus-aware pruning. We theoretically show that the proposed method suppresses exponential growth in the search space with respect to query length by leveraging statistical properties of natural language. In experiments on FineWeb-Edu (Lozhkov et al., 2024) (1.4T tokens), we show that our method achieves significantly lower search latency than existing methods: infini-gram (Liu et al., 2024), infini-gram mini (Xu et al., 2025), and SoftMatcha (Deguchi et al., 2025). As a practical application, we demonstrate that our method identifies benchmark contamination in training corpora, unidentified by existing approaches. We also provide an online demo of fast, soft search across corpora in seven languages.

This monograph presents the main complexity theorems in convex optimization and their corresponding algorithms. Starting from the fundamental theory of black-box optimization, the material progresses towards recent advances in structural optimization and stochastic optimization. Our presentation of black-box optimization, strongly influenced by Nesterov's seminal book and Nemirovski's lecture notes, includes the analysis of cutting plane methods, as well as (accelerated) gradient descent schemes. We also pay special attention to non-Euclidean settings (relevant algorithms include Frank-Wolfe, mirror descent, and dual averaging) and discuss their relevance in machine learning. We provide a gentle introduction to structural optimization with FISTA (to optimize a sum of a smooth and a simple non-smooth term), saddle-point mirror prox (Nemirovski's alternative to Nesterov's smoothing), and a concise description of interior point methods. In stochastic optimization we discuss stochastic gradient descent, mini-batches, random coordinate descent, and sublinear algorithms. We also briefly touch upon convex relaxation of combinatorial problems and the use of randomness to round solutions, as well as random walks based methods.

Merging models fine-tuned from a common, extensively pre-trained large model but specialized for different tasks has been demonstrated as a cheap and scalable strategy to construct a multi-task model that performs well across diverse tasks. Recent research, exemplified by task arithmetic, highlights that this multi-task model can be derived through arithmetic operations on task vectors. Nevertheless, current merging techniques frequently resolve potential conflicts among parameters from task-specific models by evaluating individual attributes, such as the parameters' magnitude or sign, overlooking their collective impact on the overall functionality of the model. In this work, we propose the CONtinuous relaxation of disCRETE (Concrete) subspace learning method to identify a common low-dimensional subspace and utilize its shared information to track the interference problem without sacrificing much performance. Specifically, we model the problem as a bi-level optimization problem and introduce a meta-learning framework to find the Concrete subspace mask through gradient-based techniques. At the upper level, we focus on learning a shared Concrete mask to identify the subspace, while at the inner level, model merging is performed to maximize the performance of the merged model. We conduct extensive experiments on both vision domain and language domain, and the results demonstrate the effectiveness of our method. The code is available at https://github.com/tanganke/subspace_fusion

This paper addresses the scalability challenge of architecture search by formulating the task in a differentiable manner. Unlike conventional approaches of applying evolution or reinforcement learning over a discrete and non-differentiable search space, our method is based on the continuous relaxation of the architecture representation, allowing efficient search of the architecture using gradient descent. Extensive experiments on CIFAR-10, ImageNet, Penn Treebank and WikiText-2 show that our algorithm excels in discovering high-performance convolutional architectures for image classification and recurrent architectures for language modeling, while being orders of magnitude faster than state-of-the-art non-differentiable techniques. Our implementation has been made publicly available to facilitate further research on efficient architecture search algorithms.

This paper presents a novel preconditioning strategy for the classic 8-point algorithm (8-PA) for estimating an essential matrix from 360-FoV images (i.e., equirectangular images) in spherical projection. To alleviate the effect of uneven key-feature distributions and outlier correspondences, which can potentially decrease the accuracy of an essential matrix, our method optimizes a non-rigid transformation to deform a spherical camera into a new spatial domain, defining a new constraint and a more robust and accurate solution for an essential matrix. Through several experiments using random synthetic points, 360-FoV, and fish-eye images, we demonstrate that our normalization can increase the camera pose accuracy by about 20% without significantly overhead the computation time. In addition, we present further benefits of our method through both a constant weighted least-square optimization that improves further the well known Gold Standard Method (GSM) (i.e., the non-linear optimization by using epipolar errors); and a relaxation of the number of RANSAC iterations, both showing that our normalization outcomes a more reliable, robust, and accurate solution.

Parameter-efficient finetuning (PEFT) has become ubiquitous to adapt foundation models to downstream task requirements while retaining their generalization ability. However, the amount of additionally introduced parameters and compute for successful adaptation and hyperparameter searches can explode quickly, especially when deployed at scale to serve numerous individual requests. To ensure effective, parameter-efficient, and hyperparameter-robust adaptation, we propose the ETHER transformation family, which performs Efficient fineTuning via HypErplane Reflections. By design, ETHER transformations require a minimal number of parameters, are less likely to deteriorate model performance, and exhibit robustness to hyperparameter and learning rate choices. In particular, we introduce ETHER and its relaxation ETHER+, which match or outperform existing PEFT methods with significantly fewer parameters (sim10-100 times lower than LoRA or OFT) across multiple image synthesis and natural language tasks without exhaustive hyperparameter tuning. Finally, we investigate the recent emphasis on Hyperspherical Energy retention for adaptation and raise questions on its practical utility. The code is available at https://github.com/mwbini/ether.

We introduce a novel approach to large language model (LLM) distillation by formulating it as a constrained reinforcement learning problem. While recent work has begun exploring the integration of task-specific rewards into distillation processes, existing methods typically rely on ad-hoc reward weighting. We propose a principled optimization framework that maximizes task-specific rewards while constraining the divergence from the teacher model to remain below a specified threshold. Our approach adapts constrained state augmented reinforcement learning to the distillation setting, introducing a modified reward function that maintains theoretical guarantees of constraint satisfaction without requiring state augmentation or teacher model access during deployment and without the computational overhead of the dual Lagrangian methods. Through extensive experiments on mathematical reasoning tasks, we demonstrate that our method achieves better constraint satisfaction rates and better reasoning compared to the soft Lagrangian relaxation baselines while maintaining competitive task performance. Our framework provides a theoretically grounded and practically efficient solution for reward-aware distillation in resource-constrained settings.

Conversational Search (CS) is the task of retrieving relevant documents from a corpus within a conversational context, combining retrieval with conversational context modeling. With the explosion of Large Language Models (LLMs), the CS field has seen major improvements with LLMs rewriting user queries, accounting for conversational context. However, engaging LLMs at inference time harms efficiency. Current methods address this by distilling embeddings from human-rewritten queries to learn the context modeling task. Yet, these approaches predominantly focus on context modeling, and only treat the contrastive component of the retrieval task within a distillation-independent loss term. To address these limitations, we propose a new distillation method, as a relaxation of the previous objective, unifying retrieval and context modeling. We relax the existing training objectives by distilling similarity scores between conversations and documents, rather than relying solely on representation learning. Our proposed distillation objective allows for more freedom in the representation space and leverages the contrastive nature of document relevance. Through experiments on Learned Sparse Retrieval (LSR) across 5 CS datasets, our approach demonstrates substantial improvements in both in-domain and out-of-domain retrieval performance, outperforming state-of-the-art with gains of up to 6 points in recall for out-of-domain datasets. Additionally, through the relaxation of the objective, we propose a multi-teacher distillation, using multiple LLMs as teachers, yielding additional gains, and outperforming the teachers themselves in in-domain experiments. Finally, analysis of the sparsity of the models reveals that our distillation allows for better control over the sparsity of the trained models.

Modern neural models trained on textual data rely on pre-trained representations that emerge without direct supervision. As these representations are increasingly being used in real-world applications, the inability to control their content becomes an increasingly important problem. We formulate the problem of identifying and erasing a linear subspace that corresponds to a given concept, in order to prevent linear predictors from recovering the concept. We model this problem as a constrained, linear maximin game, and show that existing solutions are generally not optimal for this task. We derive a closed-form solution for certain objectives, and propose a convex relaxation, \method, that works well for others. When evaluated in the context of binary gender removal, the method recovers a low-dimensional subspace whose removal mitigates bias by intrinsic and extrinsic evaluation. We show that the method is highly expressive, effectively mitigating bias in deep nonlinear classifiers while maintaining tractability and interpretability.

Unstructured sparsity is now natively accelerated by recent GPU kernels and dataflow hardware, shifting the bottleneck from inference execution to the pruning algorithm. State-of-the-art methods for unstructured LLM pruning are layer-wise surrogates derived from the Optimal Brain Surgeon principle, and they sacrifice end-to-end accuracy, especially under aggressive sparsity. End-to-end alternatives such as MaskLLM and PATCH show that learnable masks can close this gap, but their categorical-over-patterns parameterization scales with the number of valid masks per row and does not port to the unstructured setting. We introduce LEAP, which replaces this intractable parameterization with a per-weight Bernoulli-via-Gumbel-sigmoid relaxation that makes end-to-end unstructured mask learning tractable. Across five LLM families from 0.5B to 8B parameters at 50% and 60% sparsity, LEAP improves six-task average zero-shot accuracy by +2.59 points on average over ADMM, the best layer-wise baseline in our sweep.

We introduce a simple yet effective approach for separating transmitted and reflected light. Our key insight is that the powerful novel view synthesis capabilities provided by modern inverse rendering methods (e.g.,~3D Gaussian splatting) allow one to perform flash/no-flash reflection separation using unpaired measurements -- this relaxation dramatically simplifies image acquisition over conventional paired flash/no-flash reflection separation methods. Through extensive real-world experiments, we demonstrate our method, Flash-Splat, accurately reconstructs both transmitted and reflected scenes in 3D. Our method outperforms existing 3D reflection separation methods, which do not leverage illumination control, by a large margin. Our project webpage is at https://flash-splat.github.io/.

Weight quantization has become a standard tool for efficient LLM deployment, especially for local inference, where models are now routinely served at 2-3 bits per parameter. The state of the art is currently split into two sets of methods: simple scalar quantization techniques, such as GPTQ or AWQ, which are widely deployed but plateau in accuracy at 3-4 bits per parameter (bpp), and "second-generation" vector- or trellis-quantized methods, such as QTIP, GPTVQ and AQLM, which push the accuracy frontier at low bit-widths but are notoriously hard to implement and to scale, and have gained relatively less traction. In this paper, we ask whether this gap is fundamental, or whether a carefully optimized scalar quantizer can recover most of it. We answer in the affirmative, by introducing GSQ (Gumbel-Softmax Quantization), a post-training scalar quantization method which jointly learns the per-coordinate grid assignments and the per-group scales using a Gumbel-Softmax relaxation of the discrete grid. GSQ matches the cardinality of the relaxation to the small number of levels available in the target bit-width regime (e.g., 3-8 levels for ternary and 3 bpp, respectively), making the relaxation tight and the optimization tractable. Practically, on the standard Llama-3.1-8B/70B-Instruct models, GSQ closes most of the gap between scalar quantization and the QTIP frontier at 2 and 3 bits, while using a symmetric scalar grid with group-wise quantization, and thus fully compatible with existing scalar inference kernels. We further show that GSQ scales to trillion-scale Mixture-of-Experts models such as Kimi-K2.5, where vector-quantized methods are difficult to apply.

In this work, we address the issue of quality of experience (QoE) in unmanned aerial vehicle (UAV) aided multiuser rate-splitting multiple access (RSMA) networks under secrecy constraints. The problem is formulated as maximization of sum mean opinion scores (MOSs) of the users. The problem is decomposed into two subproblems, beamforming and rate allocation and UAV trajectory subproblem. For, beamforming and rate allocation subproblem, we use the epigraph method, property of polynomials, and the norm-bounded error of channels, we linearize the objective function. Then, applying second-order conic (SOC) and first Taylor expansion, we convexify the remaining nonconvex constraints. For the highly nonconvex UAV trajectory, we unroll the constraints and we apply first Taylor expansion on the unrolled constraints. The simulation results demonstrate the efficiency of the proposed framework.

In this paper we provide a novel analytical perspective on the theoretical understanding of gradient-based learning algorithms by interpreting consensus-based optimization (CBO), a recently proposed multi-particle derivative-free optimization method, as a stochastic relaxation of gradient descent. Remarkably, we observe that through communication of the particles, CBO exhibits a stochastic gradient descent (SGD)-like behavior despite solely relying on evaluations of the objective function. The fundamental value of such link between CBO and SGD lies in the fact that CBO is provably globally convergent to global minimizers for ample classes of nonsmooth and nonconvex objective functions, hence, on the one side, offering a novel explanation for the success of stochastic relaxations of gradient descent. On the other side, contrary to the conventional wisdom for which zero-order methods ought to be inefficient or not to possess generalization abilities, our results unveil an intrinsic gradient descent nature of such heuristics. This viewpoint furthermore complements previous insights into the working principles of CBO, which describe the dynamics in the mean-field limit through a nonlinear nonlocal partial differential equation that allows to alleviate complexities of the nonconvex function landscape. Our proofs leverage a completely nonsmooth analysis, which combines a novel quantitative version of the Laplace principle (log-sum-exp trick) and the minimizing movement scheme (proximal iteration). In doing so, we furnish useful and precise insights that explain how stochastic perturbations of gradient descent overcome energy barriers and reach deep levels of nonconvex functions. Instructive numerical illustrations support the provided theoretical insights.

Latent factor models are the driving forces of the state-of-the-art recommender systems, with an important insight of vectorizing raw input features into dense embeddings. The dimensions of different feature embeddings are often set to a same value empirically, which limits the predictive performance of latent factor models. Existing works have proposed heuristic or reinforcement learning-based methods to search for mixed feature embedding dimensions. For efficiency concern, these methods typically choose embedding dimensions from a restricted set of candidate dimensions. However, this restriction will hurt the flexibility of dimension selection, leading to suboptimal performance of search results. In this paper, we propose Differentiable Neural Input Search (DNIS), a method that searches for mixed feature embedding dimensions in a more flexible space through continuous relaxation and differentiable optimization. The key idea is to introduce a soft selection layer that controls the significance of each embedding dimension, and optimize this layer according to model's validation performance. DNIS is model-agnostic and thus can be seamlessly incorporated with existing latent factor models for recommendation. We conduct experiments with various architectures of latent factor models on three public real-world datasets for rating prediction, Click-Through-Rate (CTR) prediction, and top-k item recommendation. The results demonstrate that our method achieves the best predictive performance compared with existing neural input search approaches with fewer embedding parameters and less time cost.

This paper studies the online node classification problem under a transductive learning setting. Current methods either invert a graph kernel matrix with O(n^3) runtime and O(n^2) space complexity or sample a large volume of random spanning trees, thus are difficult to scale to large graphs. In this work, we propose an improvement based on the online relaxation technique introduced by a series of works (Rakhlin et al.,2012; Rakhlin and Sridharan, 2015; 2017). We first prove an effective regret O(n^{1+gamma}) when suitable parameterized graph kernels are chosen, then propose an approximate algorithm FastONL enjoying O(kn^{1+gamma}) regret based on this relaxation. The key of FastONL is a generalized local push method that effectively approximates inverse matrix columns and applies to a series of popular kernels. Furthermore, the per-prediction cost is O(vol({S})log 1/epsilon) locally dependent on the graph with linear memory cost. Experiments show that our scalable method enjoys a better tradeoff between local and global consistency.

Low-bit quantization of network weights and activations can drastically reduce the memory footprint, complexity, energy consumption and latency of Deep Neural Networks (DNNs). However, low-bit quantization can also cause a considerable drop in accuracy, in particular when we apply it to complex learning tasks or lightweight DNN architectures. In this paper, we propose a training procedure that relaxes the low-bit quantization. We call this procedure DNN Quantization with Attention (DQA). The relaxation is achieved by using a learnable linear combination of high, medium and low-bit quantizations. Our learning procedure converges step by step to a low-bit quantization using an attention mechanism with temperature scheduling. In experiments, our approach outperforms other low-bit quantization techniques on various object recognition benchmarks such as CIFAR10, CIFAR100 and ImageNet ILSVRC 2012, achieves almost the same accuracy as a full precision DNN, and considerably reduces the accuracy drop when quantizing lightweight DNN architectures.

According to the forgetting curve theory, we can enhance memory retention by learning extensive data and taking adequate rest. This means that in order to effectively retain new knowledge, it is essential to learn it thoroughly and ensure sufficient rest so that our brain can memorize without forgetting. The main takeaway from this theory is that learning extensive data at once necessitates sufficient rest before learning the same data again. This aspect of human long-term memory retention can be effectively utilized to address the continual learning of neural networks. Retaining new knowledge for a long period of time without catastrophic forgetting is the critical problem of continual learning. Therefore, based on Ebbinghaus' theory, we introduce the view-batch model that adjusts the learning schedules to optimize the recall interval between retraining the same samples. The proposed view-batch model allows the network to get enough rest to learn extensive knowledge from the same samples with a recall interval of sufficient length. To this end, we specifically present two approaches: 1) a replay method that guarantees the optimal recall interval, and 2) a self-supervised learning that acquires extensive knowledge from a single training sample at a time. We empirically show that these approaches of our method are aligned with the forgetting curve theory, which can enhance long-term memory. In our experiments, we also demonstrate that our method significantly improves many state-of-the-art continual learning methods in various protocols and scenarios. We open-source this project at https://github.com/hankyul2/ViewBatchModel.

Seven years ago, researchers proposed a postprocessing method to equalize the error rates of a model across different demographic groups. The work launched hundreds of papers purporting to improve over the postprocessing baseline. We empirically evaluate these claims through thousands of model evaluations on several tabular datasets. We find that the fairness-accuracy Pareto frontier achieved by postprocessing contains all other methods we were feasibly able to evaluate. In doing so, we address two common methodological errors that have confounded previous observations. One relates to the comparison of methods with different unconstrained base models. The other concerns methods achieving different levels of constraint relaxation. At the heart of our study is a simple idea we call unprocessing that roughly corresponds to the inverse of postprocessing. Unprocessing allows for a direct comparison of methods using different underlying models and levels of relaxation.

A popular approach for sequential decision-making is to perform simulator-based search guided with Machine Learning (ML) methods like policy learning. On the other hand, model-relaxation heuristics can guide the search effectively if a full declarative model is available. In this work, we consider how a practitioner can improve ML-based black-box planning on settings where a complete symbolic model is not available. We show that specifying an incomplete STRIPS model that describes only part of the problem enables the use of relaxation heuristics. Our findings on several planning domains suggest that this is an effective way to improve ML-based black-box planning beyond collecting more data or tuning ML architectures.

We introduce a novel method for solving density-based topology optimization problems: Sigmoidal Mirror descent with a Projected Latent variable (SiMPL). The SiMPL method (pronounced as ``the simple method'') optimizes a design using only first-order derivative information of the objective function. The bound constraints on the density field are enforced with the help of the (negative) Fermi--Dirac entropy, which is also used to define a non-symmetric distance function called a Bregman divergence on the set of admissible designs. This Bregman divergence leads to a simple update rule that is further simplified with the help of a so-called latent variable. Because the SiMPL method involves discretizing the latent variable, it produces a sequence of pointwise-feasible iterates, even when high-order finite elements are used in the discretization. Numerical experiments demonstrate that the method outperforms other popular first-order optimization algorithms. To outline the general applicability of the technique, we include examples with (self-load) compliance minimization and compliant mechanism optimization problems.

We introduce a novel Longitudinal Focused Attention Meditation Electroencephalography (L-FAME) dataset and an accompanying benchmark, designed to foster research into the neural effects of various meditation practices and the evolution of these effects over a six-week training period. The dataset contains EEG recordings and psychological assessments from 74 healthy college participants, collected at two distinct time points: pre-intervention and post-intervention. Participants were randomly assigned to one of three distinct meditation groups: two mantra-based techniques (SA-TA-NA-MA and Hare Krishna) and one Breath Focus practice. Leveraging this unique longitudinal and comparative dataset, we propose a benchmark suite comprising three distinct classification tasks: (1) cognitive state decoding to distinguish between resting and meditation states, (2) fine-grained classification of the specific meditation techniques, and (3) cross-session adaptation to evaluate model generalization across the longitudinal time gap. We provide comprehensive baseline results for these tasks utilizing a range of classical machine learning algorithms and deep learning architectures. The complete dataset, preprocessing pipelines, and benchmark evaluation code will be publicly released, offering a valuable resource and a standardized framework for the development and comparison of new analytical methods in computational meditation research and EEG-based machine learning. The dataset is available at https://huggingface.co/datasets/L-FAME-Dataset-Benchmark/L-FAME

Retrieval heads, attention heads that copy information from earlier context to the current position, have been proposed as the mechanistic substrate for long-context recall. Rotary position embeddings (RoPE) rotate queries and keys by frequencies decaying with a base hyperparameter theta, and a natural hypothesis is that this rotation either prevents retrieval heads from forming or degrades their function. We test both across four open-weight 7-8B models spanning multi-head and grouped-query attention and a 100x range of theta, using paired-seed needle-in-a-haystack tests, layer-clustered permutation, and causal head-masking. (i) Retrieval heads are causally necessary: masking the 87 detected heads in OLMo-2 collapses recall from 1.00 to 0.00, while masking matched random heads has no effect; this replicates in Qwen. (ii) Higher theta does not reduce retrieval-head count (LLaMA-3.1 at theta=500K has 47 heads vs LLaMA-2 at theta=10K with 42), refuting the prevention hypothesis. (iii) The norm-utility relation is family-specific and significant in opposite directions (Qwen d=-0.49, OLMo d=+0.50, both significant; LLaMA null); since OLMo and LLaMA-3.1 share theta=500K yet differ, the effect is not theta-driven. (iv) Building on Chiang and Yogatama (2025), a controlled patch shows that zeroing the lowest-frequency RoPE dimensions of retrieval heads degrades recall dose-dependently (1.00 to 0.18 when 32 of 128 dimensions are zeroed, vs 0.98 for random dimensions); the effect is head-specific and task-specific. The causal variable is RoPE frequency, not norm-utility. The direction holds in all five models patched (OLMo-2, Qwen2.5-7B/14B, Gemma-2, Mistral) across four lineages and two scales. We do not claim cross-model magnitude. Code and a paired-seed harness are released.

We show how to extract from a sufficiently long time series of stationary fluctuations of chemical reactions an estimate of the entropy production. This method, which is based on recent work on fluctuation theorems, is direct, non-invasive, does not require any knowledge about the underlying dynamics, and is applicable even when only partial information is available. We apply it to simple stochastic models of chemical reactions involving a finite number of states, and for this case, we study how the estimate of dissipation is affected by the degree of coarse-graining present in the input data.

Certified defenses based on convex relaxations are an established technique for training provably robust models. The key component is the choice of relaxation, varying from simple intervals to tight polyhedra. Counterintuitively, loose interval-based training often leads to higher certified robustness than what can be achieved with tighter relaxations, which is a well-known but poorly understood paradox. While recent works introduced various improvements aiming to circumvent this issue in practice, the fundamental problem of training models with high certified robustness remains unsolved. In this work, we investigate the underlying reasons behind the paradox and identify two key properties of relaxations, beyond tightness, that impact certified training dynamics: continuity and sensitivity. Our extensive experimental evaluation with a number of popular convex relaxations provides strong evidence that these factors can explain the drop in certified robustness observed for tighter relaxations. We also systematically explore modifications of existing relaxations and discover that improving unfavorable properties is challenging, as such attempts often harm other properties, revealing a complex tradeoff. Our findings represent an important first step towards understanding the intricate optimization challenges involved in certified training.

This manuscript portrays optimization as a process. In many practical applications the environment is so complex that it is infeasible to lay out a comprehensive theoretical model and use classical algorithmic theory and mathematical optimization. It is necessary as well as beneficial to take a robust approach, by applying an optimization method that learns as one goes along, learning from experience as more aspects of the problem are observed. This view of optimization as a process has become prominent in varied fields and has led to some spectacular success in modeling and systems that are now part of our daily lives.

A neuroscience method to understanding the brain is to find and study the preferred stimuli that highly activate an individual cell or groups of cells. Recent advances in machine learning enable a family of methods to synthesize preferred stimuli that cause a neuron in an artificial or biological brain to fire strongly. Those methods are known as Activation Maximization (AM) or Feature Visualization via Optimization. In this chapter, we (1) review existing AM techniques in the literature; (2) discuss a probabilistic interpretation for AM; and (3) review the applications of AM in debugging and explaining networks.

Minimal Phenomenal Experiences (MPEs) are states of consciousness in which wakefulness is preserved but phenomenal content is low or absent. The Entropic Brain Hypothesis (EBH) is a model of conscious processes that regards the entropy of spontaneous brain activity as a marker of 'phenomenal richness', exemplified by high-content psychedelic experiences (HCPEs). Yet recent human neuroimaging studies of MPEs induced by meditation -- and possibly 5-MeO-DMT -- suggest that these states, defined by their phenomenological simplicity, also show signs of increased neurophysiological entropy. This presents a conundrum for the EBH: brain entropy is elevated with increased and decreased richness of the phenomenal experience. Here, we put forward the Complex Brain Hypothesis (CBH), which proposes that the richness of experience differentiating MPEs from HCPEs is better indexed by complexity than by entropy. We argue that brain complexity is modulated by the grain of inference through which the brain resolves uncertainty: some HCPEs exemplify a fine-grained regime, in which loosened constraints amplify fluctuations into proliferating content, whereas some MPEs exemplify a coarse-grained regime, in which a simpler model dissolves variety into an experience of 'contentless' awareness. Both regimes can be associated with elevated brain entropy, but they diverge in phenomenology and perturbational signatures. By resolving the entropy-content conundrum, the CBH refines the EBH and highlights MPEs as an important test case for computational theories of consciousness.

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

Solving the inverse problem is the key step in evaluating the capacity of a physical model to describe real phenomena. In medical image computing, it aligns with the classical theme of image-based model personalization. Traditionally, a solution to the problem is obtained by performing either sampling or variational inference based methods. Both approaches aim to identify a set of free physical model parameters that results in a simulation best matching an empirical observation. When applied to brain tumor modeling, one of the instances of image-based model personalization in medical image computing, the overarching drawback of the methods is the time complexity for finding such a set. In a clinical setting with limited time between imaging and diagnosis or even intervention, this time complexity may prove critical. As the history of quantitative science is the history of compression, we align in this paper with the historical tendency and propose a method compressing complex traditional strategies for solving an inverse problem into a simple database query task. We evaluated different ways of performing the database query task assessing the trade-off between accuracy and execution time. On the exemplary task of brain tumor growth modeling, we prove that the proposed method achieves one order speed-up compared to existing approaches for solving the inverse problem. The resulting compute time offers critical means for relying on more complex and, hence, realistic models, for integrating image preprocessing and inverse modeling even deeper, or for implementing the current model into a clinical workflow.

Optimization is a ubiquitous modeling tool and is often deployed in settings which repeatedly solve similar instances of the same problem. Amortized optimization methods use learning to predict the solutions to problems in these settings, exploiting the shared structure between similar problem instances. These methods have been crucial in variational inference and reinforcement learning and are capable of solving optimization problems many orders of magnitudes times faster than traditional optimization methods that do not use amortization. This tutorial presents an introduction to the amortized optimization foundations behind these advancements and overviews their applications in variational inference, sparse coding, gradient-based meta-learning, control, reinforcement learning, convex optimization, optimal transport, and deep equilibrium networks. The source code for this tutorial is available at https://github.com/facebookresearch/amortized-optimization-tutorial.

Uniform-state discrete diffusion models excel at few-step generation and guidance due to their ability to self-correct, making them preferred over autoregressive or Masked diffusion models in these settings. However, their sampling quality plateaus with ancestral samplers as the number of steps increases. We introduce a family of Predictor-Corrector (PC) samplers for discrete diffusion that generalize prior methods and apply to arbitrary noise processes. When paired with uniform-state diffusion, our samplers outperform ancestral sampling on both language and image modeling, achieving lower generative perplexity at matched unigram entropy on OpenWebText and better FID/IS scores on CIFAR10. Crucially, unlike conventional samplers, our PC methods continue to improve with more sampling steps. Taken together, these findings call into question the assumption that Masked diffusion is the inevitable future of diffusion-based language modeling. Beyond sampling, we develop a memory-efficient curriculum for the Gaussian relaxation training phase, reducing training time by 25% and memory by 33% compared to Duo while maintaining comparable perplexity on OpenWebText and LM1B and strong downstream performance. We release code, checkpoints, and a video-tutorial on: https://s-sahoo.com/duo-ch2

In this paper, we develop and implement an efficient asymptotic-preserving (AP) scheme to solve the gas mixture of Boltzmann equations under the disparate mass scaling relevant to the so-called "epochal relaxation" phenomenon. The disparity in molecular masses, ranging across several orders of magnitude, leads to significant challenges in both the evaluation of collision operators and the designing of time-stepping schemes to capture the multi-scale nature of the dynamics. A direct implementation of the spectral method faces prohibitive computational costs as the mass ratio increases due to the need to resolve vastly different thermal velocities. Unlike [I. M. Gamba, S. Jin, and L. Liu, Commun. Math. Sci., 17 (2019), pp. 1257-1289], we propose an alternative approach based on proper truncation of asymptotic expansions of the collision operators, which significantly reduces the computational complexity and works well for small varepsilon. By incorporating the separation of three time scales in the model's relaxation process [P. Degond and B. Lucquin-Desreux, Math. Models Methods Appl. Sci., 6 (1996), pp. 405-436], we design an AP scheme that captures the specific dynamics of the disparate mass model while maintaining computational efficiency. Numerical experiments demonstrate the effectiveness of the proposed scheme in handling large mass ratios of heavy and light species, as well as capturing the epochal relaxation phenomenon.

Solving a linear system Ax=b is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter omega has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm--using only the number of iterations as feedback--can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed omega as the sequence length increases. Furthermore, when given additional structural information, we show that a contextual bandit method asymptotically achieves the performance of the instance-optimal policy, which selects the best omega for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

We present and experimentally realize a quantum algorithm for efficiently solving the following problem: given an Ntimes N matrix M, an N-dimensional vector emph{b}, and an initial vector emph{x}(0), obtain a target vector emph{x}(t) as a function of time t according to the constraint demph{x}(t)/dt=Memph{x}(t)+emph{b}. We show that our algorithm exhibits an exponential speedup over its classical counterpart in certain circumstances. In addition, we demonstrate our quantum algorithm for a 4times4 linear differential equation using a 4-qubit nuclear magnetic resonance quantum information processor. Our algorithm provides a key technique for solving many important problems which rely on the solutions to linear differential equations.

The paper has two goals: It presents basic ideas, notions, and methods for reduction of reaction kinetics models: quasi-steady-state, quasi-equilibrium, slow invariant manifolds, and limiting steps. It describes briefly the current state of the art and some latest achievements in the broad area of model reduction in chemical and biochemical kinetics, including new results in methods of invariant manifolds, computation singular perturbation, bottleneck methods, asymptotology, tropical equilibration, and reaction mechanism skeletonisation.

We develop a method for training neural networks on Boolean data in which the values at all nodes are strictly pm 1, and the resulting models are typically equivalent to networks whose nonzero weights are also pm 1. The method replaces loss minimization with a nonconvex constraint formulation. Each node implements a Boolean threshold function (BTF), and training is expressed through a divide-and-concur decomposition into two complementary constraints: one enforces local BTF consistency between inputs, weights, and output; the other imposes architectural concurrence, equating neuron outputs with downstream inputs and enforcing weight equality across training-data instantiations of the network. The reflect-reflect-relax (RRR) projection algorithm is used to reconcile these constraints. Each BTF constraint includes a lower bound on the margin. When this bound is sufficiently large, the learned representations are provably sparse and equivalent to networks composed of simple logical gates with pm 1 weights. Across a range of tasks -- including multiplier-circuit discovery, binary autoencoding, logic-network inference, and cellular automata learning -- the method achieves exact solutions or strong generalization in regimes where standard gradient-based methods struggle. These results demonstrate that projection-based constraint satisfaction provides a viable and conceptually distinct foundation for learning in discrete neural systems, with implications for interpretability and efficient inference.

Accurate pain expression synthesis is essential for improving clinical training and human-robot interaction. Current Robotic Patient Simulators (RPSs) lack realistic pain facial expressions, limiting their effectiveness in medical training. In this work, we introduce PainDiffusion, a generative model that synthesizes naturalistic facial pain expressions. Unlike traditional heuristic or autoregressive methods, PainDiffusion operates in a continuous latent space, ensuring smoother and more natural facial motion while supporting indefinite-length generation via diffusion forcing. Our approach incorporates intrinsic characteristics such as pain expressiveness and emotion, allowing for personalized and controllable pain expression synthesis. We train and evaluate our model using the BioVid HeatPain Database. Additionally, we integrate PainDiffusion into a robotic system to assess its applicability in real-time rehabilitation exercises. Qualitative studies with clinicians reveal that PainDiffusion produces realistic pain expressions, with a 31.2% (std 4.8%) preference rate against ground-truth recordings. Our results suggest that PainDiffusion can serve as a viable alternative to real patients in clinical training and simulation, bridging the gap between synthetic and naturalistic pain expression. Code and videos are available at: https://damtien444.github.io/paindf/

This work investigates a case study of using physical-based sonification of Quadratic Unconstrained Binary Optimization (QUBO) problems, optimized by the Variational Quantum Eigensolver (VQE) algorithm. The VQE approximates the solution of the problem by using an iterative loop between the quantum computer and a classical optimization routine. This work explores the intermediary statevectors found in each VQE iteration as the means of sonifying the optimization process itself. The implementation was realised in the form of a musical interface prototype named Variational Quantum Harmonizer (VQH), providing potential design strategies for musical applications, focusing on chords, chord progressions, and arpeggios. The VQH can be used both to enhance data visualization or to create artistic pieces. The methodology is also relevant in terms of how an artist would gain intuition towards achieving a desired musical sound by carefully designing QUBO cost functions. Flexible mapping strategies could supply a broad portfolio of sounds for QUBO and quantum-inspired musical compositions, as demonstrated in a case study composition, "Dependent Origination" by Peter Thomas and Paulo Itaborai.

Music therapy has been shown in recent years to provide multiple health benefits related to emotional wellness. In turn, maintaining a healthy emotional state has proven to be effective for patients undergoing treatment, such as Parkinson's patients or patients suffering from stress and anxiety. We propose fine-tuning MusicGen, a music-generating transformer model, to create short musical clips that assist patients in transitioning from negative to desired emotional states. Using low-rank decomposition fine-tuning on the MTG-Jamendo Dataset with emotion tags, we generate 30-second clips that adhere to the iso principle, guiding patients through intermediate states in the valence-arousal circumplex. The generated music is evaluated using a music emotion recognition model to ensure alignment with intended emotions. By concatenating these clips, we produce a 15-minute "music medicine" resembling a music therapy session. Our approach is the first model to leverage Language Models to generate music medicine. Ultimately, the output is intended to be used as a temporary relief between music therapy sessions with a board-certified therapist.

We develop a spacetime neural network method with second order optimization for solving quantum dynamics from the high dimensional Schr\"{o}dinger equation. In contrast to the standard iterative first order optimization and the time-dependent variational principle, our approach utilizes the implicit mid-point method and generates the solution for all spatial and temporal values simultaneously after optimization. We demonstrate the method in the Schr\"{o}dinger equation with a self-normalized autoregressive spacetime neural network construction. Future explorations for solving different high dimensional differential equations are discussed.

Dynamic neuroimaging data, such as emission tomography measurements of radiotracer transport in blood or cerebrospinal fluid, often exhibit diffusion-like properties. These introduce distance-dependent temporal delays, scale-differences, and stretching effects that limit the effectiveness of conventional linear modeling and decomposition methods. To address this, we present the shift- and stretch-invariant non-negative matrix factorization framework. Our approach estimates both integer and non-integer temporal shifts as well as temporal stretching, all implemented in the frequency domain, where shifts correspond to phase modifications, and where stretching is handled via zero-padding or truncation. The model is implemented in PyTorch (https://github.com/anders-s-olsen/shiftstretchNMF). We demonstrate on synthetic data and brain emission tomography data that the model is able to account for stretching to provide more detailed characterization of brain tissue structure.

Krylov subspace, which is generated by multiplying a given vector by the matrix of a linear transformation and its successive powers, has been extensively studied in classical optimization literature to design algorithms that converge quickly for large linear inverse problems. For example, the conjugate gradient method (CG), one of the most popular Krylov subspace methods, is based on the idea of minimizing the residual error in the Krylov subspace. However, with the recent advancement of high-performance diffusion solvers for inverse problems, it is not clear how classical wisdom can be synergistically combined with modern diffusion models. In this study, we propose a novel and efficient diffusion sampling strategy that synergistically combines the diffusion sampling and Krylov subspace methods. Specifically, we prove that if the tangent space at a denoised sample by Tweedie's formula forms a Krylov subspace, then the CG initialized with the denoised data ensures the data consistency update to remain in the tangent space. This negates the need to compute the manifold-constrained gradient (MCG), leading to a more efficient diffusion sampling method. Our method is applicable regardless of the parametrization and setting (i.e., VE, VP). Notably, we achieve state-of-the-art reconstruction quality on challenging real-world medical inverse imaging problems, including multi-coil MRI reconstruction and 3D CT reconstruction. Moreover, our proposed method achieves more than 80 times faster inference time than the previous state-of-the-art method. Code is available at https://github.com/HJ-harry/DDS

In many real-world deployments of machine learning systems, data arrive piecemeal. These learning scenarios may be passive, where data arrive incrementally due to structural properties of the problem (e.g., daily financial data) or active, where samples are selected according to a measure of their quality (e.g., experimental design). In both of these cases, we are building a sequence of models that incorporate an increasing amount of data. We would like each of these models in the sequence to be performant and take advantage of all the data that are available to that point. Conventional intuition suggests that when solving a sequence of related optimization problems of this form, it should be possible to initialize using the solution of the previous iterate -- to "warm start" the optimization rather than initialize from scratch -- and see reductions in wall-clock time. However, in practice this warm-starting seems to yield poorer generalization performance than models that have fresh random initializations, even though the final training losses are similar. While it appears that some hyperparameter settings allow a practitioner to close this generalization gap, they seem to only do so in regimes that damage the wall-clock gains of the warm start. Nevertheless, it is highly desirable to be able to warm-start neural network training, as it would dramatically reduce the resource usage associated with the construction of performant deep learning systems. In this work, we take a closer look at this empirical phenomenon and try to understand when and how it occurs. We also provide a surprisingly simple trick that overcomes this pathology in several important situations, and present experiments that elucidate some of its properties.

The integration of deep learning and neuroscience has been advancing rapidly, which has led to improvements in the analysis of brain activity and the understanding of deep learning models from a neuroscientific perspective. The reconstruction of visual experience from human brain activity is an area that has particularly benefited: the use of deep learning models trained on large amounts of natural images has greatly improved its quality, and approaches that combine the diverse information contained in visual experiences have proliferated rapidly in recent years. In this technical paper, by taking advantage of the simple and generic framework that we proposed (Takagi and Nishimoto, CVPR 2023), we examine the extent to which various additional decoding techniques affect the performance of visual experience reconstruction. Specifically, we combined our earlier work with the following three techniques: using decoded text from brain activity, nonlinear optimization for structural image reconstruction, and using decoded depth information from brain activity. We confirmed that these techniques contributed to improving accuracy over the baseline. We also discuss what researchers should consider when performing visual reconstruction using deep generative models trained on large datasets. Please check our webpage at https://sites.google.com/view/stablediffusion-with-brain/. Code is also available at https://github.com/yu-takagi/StableDiffusionReconstruction.

Objective: BCI (Brain-Computer Interface) technology operates in three modes: online, offline, and pseudo-online. In the online mode, real-time EEG data is constantly analyzed. In offline mode, the signal is acquired and processed afterwards. The pseudo-online mode processes collected data as if they were received in real-time. The main difference is that the offline mode often analyzes the whole data, while the online and pseudo-online modes only analyze data in short time windows. Offline analysis is usually done with asynchronous BCIs, which restricts analysis to predefined time windows. Asynchronous BCI, compatible with online and pseudo-online modes, allows flexible mental activity duration. Offline processing tends to be more accurate, while online analysis is better for therapeutic applications. Pseudo-online implementation approximates online processing without real-time constraints. Many BCI studies being offline introduce biases compared to real-life scenarios, impacting classification algorithm performance. Approach: The objective of this research paper is therefore to extend the current MOABB framework, operating in offline mode, so as to allow a comparison of different algorithms in a pseudo-online setting with the use of a technology based on overlapping sliding windows. To do this will require the introduction of a idle state event in the dataset that takes into account all different possibilities that are not task thinking. To validate the performance of the algorithms we will use the normalized Matthews Correlation Coefficient (nMCC) and the Information Transfer Rate (ITR). Main results: We analyzed the state-of-the-art algorithms of the last 15 years over several Motor Imagery (MI) datasets composed by several subjects, showing the differences between the two approaches from a statistical point of view. Significance: The ability to analyze the performance of different algorithms in offline and pseudo-online modes will allow the BCI community to obtain more accurate and comprehensive reports regarding the performance of classification algorithms.

Because stress is subjective and is expressed differently from one person to another, generic stress prediction models (i.e., models that predict the stress of any person) perform crudely. Only person-specific ones (i.e., models that predict the stress of a preordained person) yield reliable predictions, but they are not adaptable and costly to deploy in real-world environments. For illustration, in an office environment, a stress monitoring system that uses person-specific models would require collecting new data and training a new model for every employee. Moreover, once deployed, the models would deteriorate and need expensive periodic upgrades because stress is dynamic and depends on unforeseeable factors. We propose a simple, yet practical and cost effective calibration technique that derives an accurate and personalized stress prediction model from physiological samples collected from a large population. We validate our approach on two stress datasets. The results show that our technique performs much better than a generic model. For instance, a generic model achieved only a 42.5% accuracy. However, with only 100 calibration samples, we raised its accuracy to 95.2% We also propose a blueprint for a stress monitoring system based on our strategy, and we debate its merits and limitation. Finally, we made public our source code and the relevant datasets to allow other researchers to replicate our findings.

Background. Fully automatic analysis of myocardial perfusion MRI datasets enables rapid and objective reporting of stress/rest studies in patients with suspected ischemic heart disease. Developing deep learning techniques that can analyze multi-center datasets despite limited training data and variations in software and hardware is an ongoing challenge. Methods. Datasets from 3 medical centers acquired at 3T (n = 150 subjects) were included: an internal dataset (inD; n = 95) and two external datasets (exDs; n = 55) used for evaluating the robustness of the trained deep neural network (DNN) models against differences in pulse sequence (exD-1) and scanner vendor (exD-2). A subset of inD (n = 85) was used for training/validation of a pool of DNNs for segmentation, all using the same spatiotemporal U-Net architecture and hyperparameters but with different parameter initializations. We employed a space-time sliding-patch analysis approach that automatically yields a pixel-wise "uncertainty map" as a byproduct of the segmentation process. In our approach, a given test case is segmented by all members of the DNN pool and the resulting uncertainty maps are leveraged to automatically select the "best" one among the pool of solutions. Results. The proposed DAUGS analysis approach performed similarly to the established approach on the internal dataset (p = n.s.) whereas it significantly outperformed on the external datasets (p < 0.005 for exD-1 and exD-2). Moreover, the number of image series with "failed" segmentation was significantly lower for the proposed vs. the established approach (4.3% vs. 17.1%, p < 0.0005). Conclusions. The proposed DAUGS analysis approach has the potential to improve the robustness of deep learning methods for segmentation of multi-center stress perfusion datasets with variations in the choice of pulse sequence, site location or scanner vendor.

Convex relaxations are a key component of training and certifying provably safe neural networks. However, despite substantial progress, a wide and poorly understood accuracy gap to standard networks remains, raising the question of whether this is due to fundamental limitations of convex relaxations. Initial work investigating this question focused on the simple and widely used IBP relaxation. It revealed that some univariate, convex, continuous piecewise linear (CPWL) functions cannot be encoded by any ReLU network such that its IBP-analysis is precise. To explore whether this limitation is shared by more advanced convex relaxations, we conduct the first in-depth study on the expressive power of ReLU networks across all commonly used convex relaxations. We show that: (i) more advanced relaxations allow a larger class of univariate functions to be expressed as precisely analyzable ReLU networks, (ii) more precise relaxations can allow exponentially larger solution spaces of ReLU networks encoding the same functions, and (iii) even using the most precise single-neuron relaxations, it is impossible to construct precisely analyzable ReLU networks that express multivariate, convex, monotone CPWL functions.

Magnetic Resonance Imaging with tagging (tMRI) has long been utilized for quantifying tissue motion and strain during deformation. However, a phenomenon known as tag fading, a gradual decrease in tag visibility over time, often complicates post-processing. The first contribution of this study is to model tag fading by considering the interplay between T_1 relaxation and the repeated application of radio frequency (RF) pulses during serial imaging sequences. This is a factor that has been overlooked in prior research on tMRI post-processing. Further, we have observed an emerging trend of utilizing raw tagged MRI within a deep learning-based (DL) registration framework for motion estimation. In this work, we evaluate and analyze the impact of commonly used image similarity objectives in training DL registrations on raw tMRI. This is then compared with the Harmonic Phase-based approach, a traditional approach which is claimed to be robust to tag fading. Our findings, derived from both simulated images and an actual phantom scan, reveal the limitations of various similarity losses in raw tMRI and emphasize caution in registration tasks where image intensity changes over time.

Guitar tablatures enrich the structure of traditional music notation by assigning each note to a string and fret of a guitar in a particular tuning, indicating precisely where to play the note on the instrument. The problem of generating tablature from a symbolic music representation involves inferring this string and fret assignment per note across an entire composition or performance. On the guitar, multiple string-fret assignments are possible for most pitches, which leads to a large combinatorial space that prevents exhaustive search approaches. Most modern methods use constraint-based dynamic programming to minimize some cost function (e.g.\ hand position movement). In this work, we introduce a novel deep learning solution to symbolic guitar tablature estimation. We train an encoder-decoder Transformer model in a masked language modeling paradigm to assign notes to strings. The model is first pre-trained on DadaGP, a dataset of over 25K tablatures, and then fine-tuned on a curated set of professionally transcribed guitar performances. Given the subjective nature of assessing tablature quality, we conduct a user study amongst guitarists, wherein we ask participants to rate the playability of multiple versions of tablature for the same four-bar excerpt. The results indicate our system significantly outperforms competing algorithms.

We introduce Feasible Learning (FL), a sample-centric learning paradigm where models are trained by solving a feasibility problem that bounds the loss for each training sample. In contrast to the ubiquitous Empirical Risk Minimization (ERM) framework, which optimizes for average performance, FL demands satisfactory performance on every individual data point. Since any model that meets the prescribed performance threshold is a valid FL solution, the choice of optimization algorithm and its dynamics play a crucial role in shaping the properties of the resulting solutions. In particular, we study a primal-dual approach which dynamically re-weights the importance of each sample during training. To address the challenge of setting a meaningful threshold in practice, we introduce a relaxation of FL that incorporates slack variables of minimal norm. Our empirical analysis, spanning image classification, age regression, and preference optimization in large language models, demonstrates that models trained via FL can learn from data while displaying improved tail behavior compared to ERM, with only a marginal impact on average performance.

Linear attention reduces the quadratic cost of softmax attention by maintaining a recurrent fast-weight state, but it consistently lags on in-context retrieval and long-context tasks. Existing remedies act on the write side of memory through gating, delta updates, or kernel feature maps, but the read step is left unchanged: every past key contributes additively to the output, so useful targets are diluted by the bulk of stored vectors. We borrow one specific piece of softmax's geometry to construct a cheap read-time contraction of the query. A second-order Taylor expansion of the softmax log-partition at the isotropic-attention point gives a local quadratic model whose curvature coincides with the running key covariance, a quantity that can be maintained with the same recurrent/chunkwise mechanism as the linear-attention state. The associated linear operator contracts the query along the high-density directions of memory before it reads the state. We call this mechanism Curvature-Conditioned Query (CCQ). CCQ modifies only the read step and is composable with any linear-attention backbone. Attached to GLA and Gated DeltaNet, it improves perplexity, zero-shot downstream accuracy, S-NIAH retrieval at and beyond the training context, length-extrapolation perplexity from 4K to 20K, and LongBench accuracy, at small extra cost.

We introduce an optical tweezer platform for assembling and individually manipulating a two-dimensional register of nuclear spin qubits. Each nuclear spin qubit is encoded in the ground ^{1}S_{0} manifold of ^{87}Sr and is individually manipulated by site-selective addressing beams. We observe that spin relaxation is negligible after 5 seconds, indicating that T_1gg5 s. Furthermore, utilizing simultaneous manipulation of subsets of qubits, we demonstrate significant phase coherence over the entire register, estimating T_2^star = left(21pm7right) s and measuring T_2^echo=left(42pm6right) s.

The NMR measurements performed on a single orthorhombic crystal of superconducting ferromagnet UCoGe (Y.Ihara et al, Phys. Rev. Lett. v.105, 206403 (2010)) demonstrate strongly anisotropic magnetic properties of this material. The presented calculations allow to establish the dependence of longitudinal spin-lattice relaxation rate from temperature and magnetic field. The value 1/T_1T in field perpendicular to spontaneous magnetisation directed along c-axis has maximum in vicinity of Curie temperature whereas it does not reveal similar behaviour in field parallel to the direction of spontaneous magnetisation. Also there was shown that the longitudinal spin-lattice relaxation rate is strongly field dependent when the field directed in b-crystallographic direction but field independent if magnetic field is oriented along a-axis.

Machine unlearning, the ability for a machine learning model to forget, is becoming increasingly important to comply with data privacy regulations, as well as to remove harmful, manipulated, or outdated information. The key challenge lies in forgetting specific information while protecting model performance on the remaining data. While current state-of-the-art methods perform well, they typically require some level of retraining over the retained data, in order to protect or restore model performance. This adds computational overhead and mandates that the training data remain available and accessible, which may not be feasible. In contrast, other methods employ a retrain-free paradigm, however, these approaches are prohibitively computationally expensive and do not perform on par with their retrain-based counterparts. We present Selective Synaptic Dampening (SSD), a novel two-step, post hoc, retrain-free approach to machine unlearning which is fast, performant, and does not require long-term storage of the training data. First, SSD uses the Fisher information matrix of the training and forgetting data to select parameters that are disproportionately important to the forget set. Second, SSD induces forgetting by dampening these parameters proportional to their relative importance to the forget set with respect to the wider training data. We evaluate our method against several existing unlearning methods in a range of experiments using ResNet18 and Vision Transformer. Results show that the performance of SSD is competitive with retrain-based post hoc methods, demonstrating the viability of retrain-free post hoc unlearning approaches.

Scientific studies of consciousness rely on objects whose existence is assumed to be independent of any consciousness. On the contrary, we assume consciousness to be fundamental, and that one of the main features of consciousness is characterized as being other-dependent. We set up a framework which naturally subsumes this feature by defining a compact closed category where morphisms represent conscious processes. These morphisms are a composition of a set of generators, each being specified by their relations with other generators, and therefore co-dependent. The framework is general enough and fits well into a compositional model of consciousness. Interestingly, we also show how our proposal may become a step towards avoiding the hard problem of consciousness, and thereby address the combination problem of conscious experiences.

This paper introduces a new biologically-inspired training method named Continual Learning through Adjustment Suppression and Sparsity Promotion (CLASSP). CLASSP is based on two main principles observed in neuroscience, particularly in the context of synaptic transmission and Long-Term Potentiation (LTP). The first principle is a decay rate over the weight adjustment, which is implemented as a generalization of the AdaGrad optimization algorithm. This means that weights that have received many updates should have lower learning rates as they likely encode important information about previously seen data. However, this principle results in a diffuse distribution of updates throughout the model, as it promotes updates for weights that haven't been previously updated, while a sparse update distribution is preferred to leave weights unassigned for future tasks. Therefore, the second principle introduces a threshold on the loss gradient. This promotes sparse learning by updating a weight only if the loss gradient with respect to that weight is above a certain threshold, i.e. only updating weights with a significant impact on the current loss. Both principles reflect phenomena observed in LTP, where a threshold effect and a gradual saturation of potentiation have been observed. CLASSP is implemented in a Python/PyTorch class, making it applicable to any model. When compared with Elastic Weight Consolidation (EWC) using Computer Vision and sentiment analysis datasets, CLASSP demonstrates superior performance in terms of accuracy and memory footprint.

A central problem in machine learning involves modeling complex data-sets using highly flexible families of probability distributions in which learning, sampling, inference, and evaluation are still analytically or computationally tractable. Here, we develop an approach that simultaneously achieves both flexibility and tractability. The essential idea, inspired by non-equilibrium statistical physics, is to systematically and slowly destroy structure in a data distribution through an iterative forward diffusion process. We then learn a reverse diffusion process that restores structure in data, yielding a highly flexible and tractable generative model of the data. This approach allows us to rapidly learn, sample from, and evaluate probabilities in deep generative models with thousands of layers or time steps, as well as to compute conditional and posterior probabilities under the learned model. We additionally release an open source reference implementation of the algorithm.

Pressure, together with temperature and magnetic field, is an important thermodynamical parameter in physics. Investigating the response of a compound or of a material to pressure allows to elucidate ground states, investigate their interplay and interactions and determine microscopic parameters. Pressure tuning is used to establish phase diagrams, study phase transitions and identify critical points. Muon spin rotation/relaxation (muSR) is now a standard technique making increasing significant contribution in condensed matter physics, material science research and other fields. In this review, we will discuss specific requirements and challenges to perform muSR experiments under pressure, introduce the high-pressure muon facility at the Paul Scherrer Institute (PSI, Switzerland) and present selected results obtained by combining the sensitivity of the muSR technique with pressure.

Neural Information Retrieval (NIR) has significantly improved upon heuristic-based IR systems. Yet, failures remain frequent, the models used often being unable to retrieve documents relevant to the user's query. We address this challenge by proposing a lightweight abstention mechanism tailored for real-world constraints, with particular emphasis placed on the reranking phase. We introduce a protocol for evaluating abstention strategies in a black-box scenario, demonstrating their efficacy, and propose a simple yet effective data-driven mechanism. We provide open-source code for experiment replication and abstention implementation, fostering wider adoption and application in diverse contexts.

Surface analysis of the cortex is ubiquitous in human neuroimaging with MRI, e.g., for cortical registration, parcellation, or thickness estimation. The convoluted cortical geometry requires isotropic scans (e.g., 1mm MPRAGEs) and good gray-white matter contrast for 3D reconstruction. This precludes the analysis of most brain MRI scans acquired for clinical purposes. Analyzing such scans would enable neuroimaging studies with sample sizes that cannot be achieved with current research datasets, particularly for underrepresented populations and rare diseases. Here we present the first method for cortical reconstruction, registration, parcellation, and thickness estimation for clinical brain MRI scans of any resolution and pulse sequence. The methods has a learning component and a classical optimization module. The former uses domain randomization to train a CNN that predicts an implicit representation of the white matter and pial surfaces (a signed distance function) at 1mm isotropic resolution, independently of the pulse sequence and resolution of the input. The latter uses geometry processing to place the surfaces while accurately satisfying topological and geometric constraints, thus enabling subsequent parcellation and thickness estimation with existing methods. We present results on 5mm axial FLAIR scans from ADNI and on a highly heterogeneous clinical dataset with 5,000 scans. Code and data are publicly available at https://surfer.nmr.mgh.harvard.edu/fswiki/recon-all-clinical

The proposed method aims to approximate a solution of a fluid-fluid interaction problem in case of low viscosities. The nonlinear interface condition on the joint boundary allows for this problem to be viewed as a simplified version of the atmosphere-ocean coupling. Thus, the proposed method should be viewed as potentially applicable to air-sea coupled flows in turbulent regime. The method consists of two key ingredients. The geometric averaging approach is used for efficient and stable decoupling of the problem, which would allow for the usage of preexisting codes for the air and sea domain separately, as "black boxes". This is combined with the variational multiscale stabilization technique for treating flows at high Reynolds numbers. We prove the stability and accuracy of the method and provide several numerical tests to assess both the quantitative and qualitative features of the computed solution.

Recent flow cessation experiments on soft materials have shown a counter-intuitive non-monotonic relaxation of the shear stress: following the switch-off of a steady imposed shear flow, the stress initially decays before later increasing again. By simulating the soft glassy rheology model in a form extended to allow steady state shear banding, we show that the presence of shear bands prior to flow cessation can give rise to this phenomenon. We give a mechanistic understanding of the basic physics involved, in terms of (i) the decay of the shear bands after flow cessation, and (ii) the evolution of frustrated local stresses, governed by different time scales for plastic relaxation in each band. In particular, an elastic recoil in the unsheared band gives rise to negative local frustrated stresses, the slow release of which can cause an increase in macroscopic stress. Given that shear banding and frustrated local stresses arise widely across disordered soft solids, we argue that non-monotonic stress relaxation after flow cessation may occur in many different materials.

Ensemble Kalman Inversion (EKI) is a derivative-free, ensemble-based method for inverse and optimization problems. Its continuous-time formulation can be interpreted as an interacting particle system driven by a Kalman-type preconditioned descent direction. A well-known limitation of this dynamics is the possible premature collapse of the covariance of the ensemble, which makes the method sensitive to the initial ensemble. We introduce a second-order particle system in which the particles evolve according to an inertial dynamics. The model combines a Kalman-type relaxation force with damping, attraction towards the ensemble mean, and a short-range repulsive interaction designed to counteract ensemble collapse. The resulting dynamics can be interpreted as a heavy-ball reformulation of continuous-time EKI enriched by competing attractive and repulsive mechanisms. For linear inverse problems, we analyze the induced mean and fluctuation dynamics and identify a parameter regime in which fully collapsed configurations are linearly unstable. We further characterize asymptotic equilibria through a constrained optimality condition on the subspace retained by the limiting ensemble covariance and derive an exponential decay estimate. Numerical experiments illustrate the effect of inertia and repulsion on the ensemble dynamics and compare the proposed second-order method with first-order EKI-type

We made a comparative analysis of numerical methods for multidimensional optimization. The main parameter is a number of computations of the test function to reach necessary accuracy, as it is computationally "slow". For complex functions, analytic differentiation by many parameters can cause problems associated with a significant complication of the program and thus slowing its operation. For comparison, we used the methods: "brute force" (or minimization on a regular grid), Monte Carlo, steepest descent, conjugate gradients, Brent's method (golden section search), parabolic interpolation etc. The Monte-Carlo method was applied to the eclipsing binary system AM Leo.

A new prior is proposed for learning representations of high-level concepts of the kind we manipulate with language. This prior can be combined with other priors in order to help disentangling abstract factors from each other. It is inspired by cognitive neuroscience theories of consciousness, seen as a bottleneck through which just a few elements, after having been selected by attention from a broader pool, are then broadcast and condition further processing, both in perception and decision-making. The set of recently selected elements one becomes aware of is seen as forming a low-dimensional conscious state. This conscious state is combining the few concepts constituting a conscious thought, i.e., what one is immediately conscious of at a particular moment. We claim that this architectural and information-processing constraint corresponds to assumptions about the joint distribution between high-level concepts. To the extent that these assumptions are generally true (and the form of natural language seems consistent with them), they can form a useful prior for representation learning. A low-dimensional thought or conscious state is analogous to a sentence: it involves only a few variables and yet can make a statement with very high probability of being true. This is consistent with a joint distribution (over high-level concepts) which has the form of a sparse factor graph, i.e., where the dependencies captured by each factor of the factor graph involve only very few variables while creating a strong dip in the overall energy function. The consciousness prior also makes it natural to map conscious states to natural language utterances or to express classical AI knowledge in a form similar to facts and rules, albeit capturing uncertainty as well as efficient search mechanisms implemented by attention mechanisms.

Machine learning algorithms relying on deep neural networks recently allowed a great leap forward in artificial intelligence. Despite the popularity of their applications, the efficiency of these algorithms remains largely unexplained from a theoretical point of view. The mathematical description of learning problems involves very large collections of interacting random variables, difficult to handle analytically as well as numerically. This complexity is precisely the object of study of statistical physics. Its mission, originally pointed towards natural systems, is to understand how macroscopic behaviors arise from microscopic laws. Mean-field methods are one type of approximation strategy developed in this view. We review a selection of classical mean-field methods and recent progress relevant for inference in neural networks. In particular, we remind the principles of derivations of high-temperature expansions, the replica method and message passing algorithms, highlighting their equivalences and complementarities. We also provide references for past and current directions of research on neural networks relying on mean-field methods.

We propose a Long Short-Term Memory (LSTM) with attention mechanism to classify psychological stress from self-conducted interview transcriptions. We apply distant supervision by automatically labeling tweets based on their hashtag content, which complements and expands the size of our corpus. This additional data is used to initialize the model parameters, and which it is fine-tuned using the interview data. This improves the model's robustness, especially by expanding the vocabulary size. The bidirectional LSTM model with attention is found to be the best model in terms of accuracy (74.1%) and f-score (74.3%). Furthermore, we show that distant supervision fine-tuning enhances the model's performance by 1.6% accuracy and 2.1% f-score. The attention mechanism helps the model to select informative words.

Diffusion inversion is the problem of taking an image and a text prompt that describes it and finding a noise latent that would generate the image. Most current inversion techniques operate by approximately solving an implicit equation and may converge slowly or yield poor reconstructed images. Here, we formulate the problem as finding the roots of an implicit equation and design a method to solve it efficiently. Our solution is based on Newton-Raphson (NR), a well-known technique in numerical analysis. A naive application of NR may be computationally infeasible and tends to converge to incorrect solutions. We describe an efficient regularized formulation that converges quickly to a solution that provides high-quality reconstructions. We also identify a source of inconsistency stemming from prompt conditioning during the inversion process, which significantly degrades the inversion quality. To address this, we introduce a prompt-aware adjustment of the encoding, effectively correcting this issue. Our solution, Regularized Newton-Raphson Inversion, inverts an image within 0.5 sec for latent consistency models, opening the door for interactive image editing. We further demonstrate improved results in image interpolation and generation of rare objects.

Deep neural networks trained on nonstationary data must balance stability (i.e., retaining prior knowledge) and plasticity (i.e., adapting to new tasks). Standard reinitialization methods, which reinitialize weights toward their original values, are widely used but difficult to tune: conservative reinitializations fail to restore plasticity, while aggressive ones erase useful knowledge. We propose FIRE, a principled reinitialization method that explicitly balances the stability-plasticity tradeoff. FIRE quantifies stability through Squared Frobenius Error (SFE), measuring proximity to past weights, and plasticity through Deviation from Isometry (DfI), reflecting weight isotropy. The reinitialization point is obtained by solving a constrained optimization problem, minimizing SFE subject to DfI being zero, which is efficiently approximated by Newton-Schulz iteration. FIRE is evaluated on continual visual learning (CIFAR-10 with ResNet-18), language modeling (OpenWebText with GPT-0.1B), and reinforcement learning (HumanoidBench with SAC and Atari games with DQN). Across all domains, FIRE consistently outperforms both naive training without intervention and standard reinitialization methods, demonstrating effective balancing of the stability-plasticity tradeoff.

Data errors, corruptions, and poisoning attacks during training pose a major threat to the reliability of modern AI systems. While extensive effort has gone into empirical mitigations, the evolving nature of attacks and the complexity of data require a more principled, provable approach to robustly learn on such data - and to understand how perturbations influence the final model. Hence, we introduce MIBP-Cert, a novel certification method based on mixed-integer bilinear programming (MIBP) that computes sound, deterministic bounds to provide provable robustness even under complex threat models. By computing the set of parameters reachable through perturbed or manipulated data, we can predict all possible outcomes and guarantee robustness. To make solving this optimization problem tractable, we propose a novel relaxation scheme that bounds each training step without sacrificing soundness. We demonstrate the applicability of our approach to continuous and discrete data, as well as different threat models - including complex ones that were previously out of reach.

Proposed as blanket structural materials for fusion power reactors, reduced activation ferritic/martensitic (RAFM) steel undergoes volume expanding and contracting in a cyclic mode under service environment. Particularly, being subjected to significant fluxes of fusion neutrons RAFM steel suffers considerable local volume variations in the radiation damage involved regions. It is necessary to study the structure properties of the alloying elements in contraction and expansion states. In this paper we studied local substitution structures of thirteen alloying elements Al, Co, Cr, Cu, Mn, Mo, Nb, Ni, Si, Ta, Ti, V, and W in bcc Fe and calculated their substitutional energies in the volume variation range from -1.0% to 1.0%. From the structure relaxation results of the first five neighbor shells around the substitutional atom we find the relaxation in each neighbor shell keeps approximately uniform within the volume variation from -1.0% to 1.0% except those of Mn and the relaxation of the fifth neighbor shell is stronger than that of the third and forth, indicating that the lattice distortion due to the substitution atom is easier to spread in <111> direction than in other direction. The relaxation pattern and intensity are related to the size and electron structure of the substitutional atom. For some alloying elements, such as Mo, Nb, Ni, Ta, Ti and W, the substitutional energy decreases noticeably when the volume increases. Further analysis show that the substitutional energy comprises the energy variation originated from local structure relaxation and the chemical potential difference of the substitutional atom between its elemental crystalline state and the solid solution phase in bcc Fe. We think the approximately uniform relaxation of each neighbor shell around a substitutional atom give rise to a linear decrease in the substitutional energy with the increasing volume.

We investigate a dynamically adapting tuning scheme for microtonal tuning of musical instruments, allowing the performer to play music in just intonation in any key. Unlike other methods, which are based on a procedural analysis of the chordal structure, the tuning scheme continually solves a system of linear equations without making explicit decisions. In complex situations, where not all intervals of a chord can be tuned according to just frequency ratios, the method automatically yields a tempered compromise. We outline the implementation of the algorithm in an open-source software project that we have provided in order to demonstrate the feasibility of the tuning method.

Despite their great success, there is still no comprehensive theoretical understanding of learning with Deep Neural Networks (DNNs) or their inner organization. Previous work proposed to analyze DNNs in the Information Plane; i.e., the plane of the Mutual Information values that each layer preserves on the input and output variables. They suggested that the goal of the network is to optimize the Information Bottleneck (IB) tradeoff between compression and prediction, successively, for each layer. In this work we follow up on this idea and demonstrate the effectiveness of the Information-Plane visualization of DNNs. Our main results are: (i) most of the training epochs in standard DL are spent on {\emph compression} of the input to efficient representation and not on fitting the training labels. (ii) The representation compression phase begins when the training errors becomes small and the Stochastic Gradient Decent (SGD) epochs change from a fast drift to smaller training error into a stochastic relaxation, or random diffusion, constrained by the training error value. (iii) The converged layers lie on or very close to the Information Bottleneck (IB) theoretical bound, and the maps from the input to any hidden layer and from this hidden layer to the output satisfy the IB self-consistent equations. This generalization through noise mechanism is unique to Deep Neural Networks and absent in one layer networks. (iv) The training time is dramatically reduced when adding more hidden layers. Thus the main advantage of the hidden layers is computational. This can be explained by the reduced relaxation time, as this it scales super-linearly (exponentially for simple diffusion) with the information compression from the previous layer.

Variational inference using the reparameterization trick has enabled large-scale approximate Bayesian inference in complex probabilistic models, leveraging stochastic optimization to sidestep intractable expectations. The reparameterization trick is applicable when we can simulate a random variable by applying a differentiable deterministic function on an auxiliary random variable whose distribution is fixed. For many distributions of interest (such as the gamma or Dirichlet), simulation of random variables relies on acceptance-rejection sampling. The discontinuity introduced by the accept-reject step means that standard reparameterization tricks are not applicable. We propose a new method that lets us leverage reparameterization gradients even when variables are outputs of a acceptance-rejection sampling algorithm. Our approach enables reparameterization on a larger class of variational distributions. In several studies of real and synthetic data, we show that the variance of the estimator of the gradient is significantly lower than other state-of-the-art methods. This leads to faster convergence of stochastic gradient variational inference.

Despite extensive standardization, diagnostic interviews for mental health disorders encompass substantial subjective judgment. Previous studies have demonstrated that EEG-based neural measures can function as reliable objective correlates of depression, or even predictors of depression and its course. However, their clinical utility has not been fully realized because of 1) the lack of automated ways to deal with the inherent noise associated with EEG data at scale, and 2) the lack of knowledge of which aspects of the EEG signal may be markers of a clinical disorder. Here we adapt an unsupervised pipeline from the recent deep representation learning literature to address these problems by 1) learning a disentangled representation using beta-VAE to denoise the signal, and 2) extracting interpretable features associated with a sparse set of clinical labels using a Symbol-Concept Association Network (SCAN). We demonstrate that our method is able to outperform the canonical hand-engineered baseline classification method on a number of factors, including participant age and depression diagnosis. Furthermore, our method recovers a representation that can be used to automatically extract denoised Event Related Potentials (ERPs) from novel, single EEG trajectories, and supports fast supervised re-mapping to various clinical labels, allowing clinicians to re-use a single EEG representation regardless of updates to the standardized diagnostic system. Finally, single factors of the learned disentangled representations often correspond to meaningful markers of clinical factors, as automatically detected by SCAN, allowing for human interpretability and post-hoc expert analysis of the recommendations made by the model.

We introduce Continual Learning via Neural Pruning (CLNP), a new method aimed at lifelong learning in fixed capacity models based on neuronal model sparsification. In this method, subsequent tasks are trained using the inactive neurons and filters of the sparsified network and cause zero deterioration to the performance of previous tasks. In order to deal with the possible compromise between model sparsity and performance, we formalize and incorporate the concept of graceful forgetting: the idea that it is preferable to suffer a small amount of forgetting in a controlled manner if it helps regain network capacity and prevents uncontrolled loss of performance during the training of future tasks. CLNP also provides simple continual learning diagnostic tools in terms of the number of free neurons left for the training of future tasks as well as the number of neurons that are being reused. In particular, we see in experiments that CLNP verifies and automatically takes advantage of the fact that the features of earlier layers are more transferable. We show empirically that CLNP leads to significantly improved results over current weight elasticity based methods.

The demand for safe, high-energy-density batteries has spotlighted halide solid-state electrolytes, which offer the potential for enhanced ionic mobility, electrochemical stability, and interfacial deformability. Accelerating their discovery requires extensive molecular dynamics, which has been increasingly enabled by universal machine learning interatomic potentials trained on foundational datasets. However, the dynamic softness of halides poses a stringent test of whether general-purpose models can reliably replace first-principles calculations under the highly distorted, elevated-temperature regimes necessary to probe ion transport. Here, we present AQVolt26, a dataset of 322,656 r^2SCAN single-point calculations for lithium halides, generated via high-temperature configurational sampling across sim5K structures. We demonstrate that foundational datasets provide a strong baseline for stable halide chemistries and transfer local forces well, however absolute energy predictions degrade in distorted higher-temperature regimes. Co-training with AQVolt26 resolves this blind spot. Furthermore, incorporating Materials Project relaxation data improves near-equilibrium performance but degrades extreme-strain robustness without enhancing high-temperature force accuracy. These results demonstrate that domain-specific configurational sampling is essential for the reliable dynamic screening of halide electrolytes. Furthermore, our findings suggest that while foundational models provide a robust base, they are most effective for dynamically soft solid-state chemistries when augmented with targeted, high-temperature data. Finally, we show that near-equilibrium relaxation data serves as a task-specific complement rather than a universally beneficial addition.

Purpose: Simulation of motion in the frequency domain during the MRI acquisition process is an important tool to study the effect of object motion. It is natural in this context to rely on a voxel-to-voxel difference metric between the original image and its motion-simulated version to quantify the alteration. These metrics are very sensitive to any mis-coregistration between the two images. As we observed global displacements of the corrupted image for specific simulated motions, we focused this work on the critical choice of a reference position of the object for the motion simulation that avoids any global displacement. Methods: We used the motion simulation framework and we studied the different proposed solutions. Classically, the position around the k-space center is considered as a reference with two analytical solutions to correct for global image shifts: demeaning the image in the Fourier domain either using the exact position at k-space center or using a weighted average around the center. Results: We demonstrated with motion simulated examples that these analytical solutions did not yield the same results as a direct co-registration method. Indeed, short transitions around the k-space center did not induce any global displacement, in contrast with what both analytical solutions assumed. We also observed a dependence of the global shift to both the motion amplitude and the translation direction. Conclusion: In the absence of a theoretical solution, we concluded that an extra co-registration step after motion simulation was needed in order to compare the simulation with its reference image.

Cover songs constitute a vital aspect of musical culture, preserving the core melody of an original composition while reinterpreting it to infuse novel emotional depth and thematic emphasis. Although prior research has explored the reinterpretation of instrumental music through melody-conditioned text-to-music models, the task of cover song generation remains largely unaddressed. In this work, we reformulate our cover song generation as a conditional generation, which simultaneously generates new vocals and accompaniment conditioned on the original vocal melody and text prompts. To this end, we present SongEcho, which leverages Instance-Adaptive Element-wise Linear Modulation (IA-EiLM), a framework that incorporates controllable generation by improving both conditioning injection mechanism and conditional representation. To enhance the conditioning injection mechanism, we extend Feature-wise Linear Modulation (FiLM) to an Element-wise Linear Modulation (EiLM), to facilitate precise temporal alignment in melody control. For conditional representations, we propose Instance-Adaptive Condition Refinement (IACR), which refines conditioning features by interacting with the hidden states of the generative model, yielding instance-adaptive conditioning. Additionally, to address the scarcity of large-scale, open-source full-song datasets, we construct Suno70k, a high-quality AI song dataset enriched with comprehensive annotations. Experimental results across multiple datasets demonstrate that our approach generates superior cover songs compared to existing methods, while requiring fewer than 30% of the trainable parameters. The code, dataset, and demos are available at https://github.com/lsfhuihuiff/SongEcho_ICLR2026.

Objective: To allow efficient learning using the Recurrent Inference Machine (RIM) for image reconstruction whereas not being strictly dependent on the training data distribution so that unseen modalities and pathologies are still accurately recovered. Methods: Theoretically, the RIM learns to solve the inverse problem of accelerated-MRI reconstruction whereas being robust to variable imaging conditions. The efficiency and generalization capabilities with different training datasets were studied, as well as recurrent network units with decreasing complexity: the Gated Recurrent Unit (GRU), the Minimal Gated Unit (MGU), and the Independently Recurrent Neural Network (IndRNN), to reduce inference times. Validation was performed against Compressed Sensing (CS) and further assessed based on data unseen during training. A pathology study was conducted by reconstructing simulated white matter lesions and prospectively undersampled data of a Multiple Sclerosis patient. Results: Training on a single modality of 3T T_1-weighted brain data appeared sufficient to also reconstruct 7T T_{2}^*-weighted brain and 3T T_2-weighted knee data. The IndRNN is an efficient recurrent unit, reducing inference time by 68\% compared to CS, whereas maintaining performance. The RIM was able to reconstruct lesions unseen during training more accurately than CS when trained on T_2-weighted knee data. Training on T_1-weighted brain data and on combined data slightly enhanced the signal compared to CS. Conclusion: The RIM is efficient when decreasing its complexity, which reduces the inference time, whereas still being able to reconstruct data and pathology that was unseen during training.

Background: Rapid advancements in natural language processing have led to the development of large language models with the potential to revolutionize mental health care. These models have shown promise in assisting clinicians and providing support to individuals experiencing various psychological challenges. Objective: This study aims to compare the performance of two large language models, GPT-4 and Chat-GPT, in responding to a set of 18 psychological prompts, to assess their potential applicability in mental health care settings. Methods: A blind methodology was employed, with a clinical psychologist evaluating the models' responses without knowledge of their origins. The prompts encompassed a diverse range of mental health topics, including depression, anxiety, and trauma, to ensure a comprehensive assessment. Results: The results demonstrated a significant difference in performance between the two models (p > 0.05). GPT-4 achieved an average rating of 8.29 out of 10, while Chat-GPT received an average rating of 6.52. The clinical psychologist's evaluation suggested that GPT-4 was more effective at generating clinically relevant and empathetic responses, thereby providing better support and guidance to potential users. Conclusions: This study contributes to the growing body of literature on the applicability of large language models in mental health care settings. The findings underscore the importance of continued research and development in the field to optimize these models for clinical use. Further investigation is necessary to understand the specific factors underlying the performance differences between the two models and to explore their generalizability across various populations and mental health conditions.

Hoffmann et al. (2022) propose three methods for estimating a compute-optimal scaling law. We attempt to replicate their third estimation procedure, which involves fitting a parametric loss function to a reconstruction of data from their plots. We find that the reported estimates are inconsistent with their first two estimation methods, fail at fitting the extracted data, and report implausibly narrow confidence intervals--intervals this narrow would require over 600,000 experiments, while they likely only ran fewer than 500. In contrast, our rederivation of the scaling law using the third approach yields results that are compatible with the findings from the first two estimation procedures described by Hoffmann et al.

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

We introduce a cross-domain behavioural assay of monitoring-control coupling in LLMs, grounded in the Nelson and Narens (1990) metacognitive framework and applying human psychometric methodology to LLM evaluation. The battery comprises 524 items across six cognitive domains (learning, metacognitive calibration, social cognition, attention, executive function, prospective regulation), each grounded in an established experimental paradigm. Tasks T1-T5 were pre-registered on OSF prior to data collection; T6 was added as an exploratory extension. After every forced-choice response, dual probes adapted from Koriat and Goldsmith (1996) ask the model to KEEP or WITHDRAW its answer and to BET or decline. The critical metric is the withdraw delta: the difference in withdrawal rate between incorrect and correct items. Applied to 20 frontier LLMs (10,480 evaluations), the battery discriminates three profiles consistent with the Nelson-Narens architecture: blanket confidence, blanket withdrawal, and selective sensitivity. Accuracy rank and metacognitive sensitivity rank are largely inverted. Retrospective monitoring and prospective regulation appear dissociable (r = .17, 95% CI wide given n=20; exemplar-based evidence is the primary support). Scaling on metacognitive calibration is architecture-dependent: monotonically decreasing (Qwen), monotonically increasing (GPT-5.4), or flat (Gemma). Behavioural findings converge structurally with an independent Type-2 SDT approach, providing preliminary cross-method construct validity. All items, data, and code: https://github.com/synthiumjp/metacognitive-monitoring-battery.

The objective of digital forgetting is, given a model with undesirable knowledge or behavior, obtain a new model where the detected issues are no longer present. The motivations for forgetting include privacy protection, copyright protection, elimination of biases and discrimination, and prevention of harmful content generation. Effective digital forgetting has to be effective (meaning how well the new model has forgotten the undesired knowledge/behavior), retain the performance of the original model on the desirable tasks, and be scalable (in particular forgetting has to be more efficient than retraining from scratch on just the tasks/data to be retained). This survey focuses on forgetting in large language models (LLMs). We first provide background on LLMs, including their components, the types of LLMs, and their usual training pipeline. Second, we describe the motivations, types, and desired properties of digital forgetting. Third, we introduce the approaches to digital forgetting in LLMs, among which unlearning methodologies stand out as the state of the art. Fourth, we provide a detailed taxonomy of machine unlearning methods for LLMs, and we survey and compare current approaches. Fifth, we detail datasets, models and metrics used for the evaluation of forgetting, retaining and runtime. Sixth, we discuss challenges in the area. Finally, we provide some concluding remarks.

Machine unlearning, the removal of a training subset's influence from a deployed model, is critical for privacy preservation and model reliability, yet gradient ascent on forget samples often harms retained knowledge. Existing approaches face a persistent tradeoff between effective forgetting and preservation on the retain set. While previous methods provide useful heuristics, they often lack a formal analysis on how exactly forgetting updates harm retained knowledge, and whether the side effects can be removed with theoretical guarantees. To explore a theoretically sound and simple solution, we start from the first principle on how performance on the retain set is actually affected: a first-order analysis of the local change of the retain loss under small parameter updates during model training. We start from a crisp equivalence: the retain loss is unchanged to first order iff the update direction is orthogonal to the subspace spanned by retain gradients ("retain-invariant"). This identifies the entangled component as the tangential part of forget update within the retain-gradient subspace, and characterizes disentanglement as orthogonality. Guided by this, we propose the Geometric-disentanglement Unlearning (GU) that decomposes any candidate forget gradient update into tangential and normal components to retain space and executes only the normal component. Under a standard trust-region budget, the projected direction aligned with the raw forget gradient is optimal among all first-order retain-invariant moves, and we also derive the optimal projected direction for joint forget-retain updating objectives. Our method is plug-and-play and can be attached to existing gradient-based unlearning procedures to mitigate side effects. GU achieves consistent improvement on various methods across three benchmarks TOFU, MUSE, and WMDP.

Twenty-seven years ago, E. Freuder highlighted that "Constraint programming represents one of the closest approaches computer science has yet made to the Holy Grail of programming: the user states the problem, the computer solves it". Nowadays, CP users have great modeling tools available (like Minizinc and CPMpy), allowing them to formulate the problem and then let a solver do the rest of the job, getting closer to the stated goal. However, this still requires the CP user to know the formalism and respect it. Another significant challenge lies in the expertise required to effectively model combinatorial problems. All this limits the wider adoption of CP. In this position paper, we investigate a possible approach to leverage pre-trained Large Language Models to extract models from textual problem descriptions. More specifically, we take inspiration from the Natural Language Processing for Optimization (NL4OPT) challenge and present early results with a decomposition-based prompting approach to GPT Models.

The process of reconstructing experiences from human brain activity offers a unique lens into how the brain interprets and represents the world. In this paper, we introduce a method for reconstructing music from brain activity, captured using functional magnetic resonance imaging (fMRI). Our approach uses either music retrieval or the MusicLM music generation model conditioned on embeddings derived from fMRI data. The generated music resembles the musical stimuli that human subjects experienced, with respect to semantic properties like genre, instrumentation, and mood. We investigate the relationship between different components of MusicLM and brain activity through a voxel-wise encoding modeling analysis. Furthermore, we discuss which brain regions represent information derived from purely textual descriptions of music stimuli. We provide supplementary material including examples of the reconstructed music at https://google-research.github.io/seanet/brain2music

Abstention, the refusal of large language models (LLMs) to provide an answer, is increasingly recognized for its potential to mitigate hallucinations and enhance safety in building LLM systems. In this survey, we introduce a framework to examine abstention behavior from three perspectives: the query, the model, and human values. We review the literature on abstention methods (categorized based on the development stages of LLMs), benchmarks, and evaluation metrics, and discuss the merits and limitations of prior work. We further identify and motivate areas for future research, such as encouraging the study of abstention as a meta-capability across tasks and customizing abstention abilities based on context. In doing so, we aim to broaden the scope and impact of abstention methodologies in AI systems.

In this note, we show that the Local Molecular Field theory of Weeks et. al. can be re-derived as an extremum problem for an approximate Helmholtz free energy. Using the resulting free energy as a classical, fluid density functional yields an implicit solvent method identical in form to the Molecular Density Functional theory of Borgis et. al., but with an explicit formula for the 'ideal' free energy term. This new expression for the ideal free energy term can be computed from all-atom molecular dynamics of a solvent with only short-range interactions. The key hypothesis required to make the theory valid is that all smooth (and hence long-range) energy functions obey Gaussian statistics. This is essentially a random phase approximation for perturbations from a short-range only, 'reference,' fluid. This single hypothesis is enough to prove that the self-consistent LMF procedure minimizes a novel density functional whose 'ideal' free energy is the molecular system under a specific, reference Hamiltonian, as opposed to the non-interacting gas of conventional density functionals. Implementation of this new functional into existing software should be straightforward and robust.

Controllable music generation methods are critical for human-centered AI-based music creation, but are currently limited by speed, quality, and control design trade-offs. Diffusion Inference-Time T-optimization (DITTO), in particular, offers state-of-the-art results, but is over 10x slower than real-time, limiting practical use. We propose Distilled Diffusion Inference-Time T -Optimization (or DITTO-2), a new method to speed up inference-time optimization-based control and unlock faster-than-real-time generation for a wide-variety of applications such as music inpainting, outpainting, intensity, melody, and musical structure control. Our method works by (1) distilling a pre-trained diffusion model for fast sampling via an efficient, modified consistency or consistency trajectory distillation process (2) performing inference-time optimization using our distilled model with one-step sampling as an efficient surrogate optimization task and (3) running a final multi-step sampling generation (decoding) using our estimated noise latents for best-quality, fast, controllable generation. Through thorough evaluation, we find our method not only speeds up generation over 10-20x, but simultaneously improves control adherence and generation quality all at once. Furthermore, we apply our approach to a new application of maximizing text adherence (CLAP score) and show we can convert an unconditional diffusion model without text inputs into a model that yields state-of-the-art text control. Sound examples can be found at https://ditto-music.github.io/ditto2/.

Restart techniques are common in gradient-free optimization to deal with multimodal functions. Partial warm restarts are also gaining popularity in gradient-based optimization to improve the rate of convergence in accelerated gradient schemes to deal with ill-conditioned functions. In this paper, we propose a simple warm restart technique for stochastic gradient descent to improve its anytime performance when training deep neural networks. We empirically study its performance on the CIFAR-10 and CIFAR-100 datasets, where we demonstrate new state-of-the-art results at 3.14% and 16.21%, respectively. We also demonstrate its advantages on a dataset of EEG recordings and on a downsampled version of the ImageNet dataset. Our source code is available at https://github.com/loshchil/SGDR

We explore how iterative revising a chain of thoughts with the help of information retrieval significantly improves large language models' reasoning and generation ability in long-horizon generation tasks, while hugely mitigating hallucination. In particular, the proposed method -- *retrieval-augmented thoughts* (RAT) -- revises each thought step one by one with retrieved information relevant to the task query, the current and the past thought steps, after the initial zero-shot CoT is generated. Applying RAT to GPT-3.5, GPT-4, and CodeLLaMA-7b substantially improves their performances on various long-horizon generation tasks; on average of relatively increasing rating scores by 13.63% on code generation, 16.96% on mathematical reasoning, 19.2% on creative writing, and 42.78% on embodied task planning. The demo page can be found at https://craftjarvis.github.io/RAT

Learning-based methods have gained attention as general-purpose solvers due to their ability to automatically learn problem-specific heuristics, reducing the need for manually crafted heuristics. However, these methods often face scalability challenges. To address these issues, the improved Sampling algorithm for Combinatorial Optimization (iSCO), using discrete Langevin dynamics, has been proposed, demonstrating better performance than several learning-based solvers. This study proposes a different approach that integrates gradient-based update through continuous relaxation, combined with Quasi-Quantum Annealing (QQA). QQA smoothly transitions the objective function, starting from a simple convex function, minimized at half-integral values, to the original objective function, where the relaxed variables are minimized only in the discrete space. Furthermore, we incorporate parallel run communication leveraging GPUs to enhance exploration capabilities and accelerate convergence. Numerical experiments demonstrate that our method is a competitive general-purpose solver, achieving performance comparable to iSCO and learning-based solvers across various benchmark problems. Notably, our method exhibits superior speed-quality trade-offs for large-scale instances compared to iSCO, learning-based solvers, commercial solvers, and specialized algorithms.

Psychotherapy or counseling is typically conducted through spoken conversation between a therapist and a client. Analyzing the speech characteristics of psychotherapeutic interactions can help understand the factors associated with effective psychotherapy. This paper introduces CUEMPATHY, a large-scale speech dataset collected from actual counseling sessions. The dataset consists of 156 counseling sessions involving 39 therapist-client dyads. The process of speech data collection, subjective ratings (one observer and two client ratings), and transcription are described. An automatic speech and text processing system is developed to locate the time stamps of speaker turns in each session. Examining the relationships among the three subjective ratings suggests that observer and client ratings have no significant correlation, while the client-rated measures are significantly correlated. The intensity similarity between the therapist and the client, measured by the averaged absolute difference of speaker-turn-level intensities, is associated with the psychotherapy outcomes. Recent studies on the acoustic and linguistic characteristics of the CUEMPATHY are introduced.

We propose nabla-RANSAC, a generalized differentiable RANSAC that allows learning the entire randomized robust estimation pipeline. The proposed approach enables the use of relaxation techniques for estimating the gradients in the sampling distribution, which are then propagated through a differentiable solver. The trainable quality function marginalizes over the scores from all the models estimated within nabla-RANSAC to guide the network learning accurate and useful inlier probabilities or to train feature detection and matching networks. Our method directly maximizes the probability of drawing a good hypothesis, allowing us to learn better sampling distribution. We test nabla-RANSAC on a number of real-world scenarios on fundamental and essential matrix estimation, both outdoors and indoors, with handcrafted and learning-based features. It is superior to the state-of-the-art in terms of accuracy while running at a similar speed to its less accurate alternatives. The code and trained models are available at https://github.com/weitong8591/differentiable_ransac.

Hallucination has emerged as the most vulnerable aspect of contemporary Large Language Models (LLMs). In this paper, we introduce the Sorry, Come Again (SCA) prompting, aimed to avoid LLM hallucinations by enhancing comprehension through: (i) optimal paraphrasing and (ii) injecting [PAUSE] tokens to delay LLM generation. First, we provide an in-depth analysis of linguistic nuances: formality, readability, and concreteness of prompts for 21 LLMs, and elucidate how these nuances contribute to hallucinated generation. Prompts with lower readability, formality, or concreteness pose comprehension challenges for LLMs, similar to those faced by humans. In such scenarios, an LLM tends to speculate and generate content based on its imagination (associative memory) to fill these information gaps. Although these speculations may occasionally align with factual information, their accuracy is not assured, often resulting in hallucination. Recent studies reveal that an LLM often neglects the middle sections of extended prompts, a phenomenon termed as lost in the middle. While a specific paraphrase may suit one LLM, the same paraphrased version may elicit a different response from another LLM. Therefore, we propose an optimal paraphrasing technique to identify the most comprehensible paraphrase of a given prompt, evaluated using Integrated Gradient (and its variations) to guarantee that the LLM accurately processes all words. While reading lengthy sentences, humans often pause at various points to better comprehend the meaning read thus far. We have fine-tuned an LLM with injected [PAUSE] tokens, allowing the LLM to pause while reading lengthier prompts. This has brought several key contributions: (i) determining the optimal position to inject [PAUSE], (ii) determining the number of [PAUSE] tokens to be inserted, and (iii) introducing reverse proxy tuning to fine-tune the LLM for [PAUSE] insertion.

The Markov entropy decomposition (MED) is a recently-proposed, cluster-based simulation method for finite temperature quantum systems with arbitrary geometry. In this paper, we detail numerical algorithms for performing the required steps of the MED, principally solving a minimization problem with a preconditioned Newton's algorithm, as well as how to extract global susceptibilities and thermal responses. We demonstrate the power of the method with the spin-1/2 XXZ model on the 2D square lattice, including the extraction of critical points and details of each phase. Although the method shares some qualitative similarities with exact-diagonalization, we show the MED is both more accurate and significantly more flexible.

In order to develop machine learning and deep learning models that take into account the guidelines and principles of trustworthy AI, a novel information theoretic trustworthy AI framework is introduced. A unified approach to "privacy-preserving interpretable and transferable learning" is considered for studying and optimizing the tradeoffs between privacy, interpretability, and transferability aspects. A variational membership-mapping Bayesian model is used for the analytical approximations of the defined information theoretic measures for privacy-leakage, interpretability, and transferability. The approach consists of approximating the information theoretic measures via maximizing a lower-bound using variational optimization. The study presents a unified information theoretic approach to study different aspects of trustworthy AI in a rigorous analytical manner. The approach is demonstrated through numerous experiments on benchmark datasets and a real-world biomedical application concerned with the detection of mental stress on individuals using heart rate variability analysis.

Large language model (LLM) unlearning has demonstrated effectiveness in removing the influence of undesirable data (also known as forget data). Existing approaches typically assume full access to the forget dataset, overlooking two key challenges: (1) Forget data is often privacy-sensitive, rare, or legally regulated, making it expensive or impractical to obtain (2) The distribution of available forget data may not align with how that information is represented within the model. To address these limitations, we propose a ``Reveal-and-Release'' method to unlearn with self-generated data, where we prompt the model to reveal what it knows using optimized instructions. To fully utilize the self-generated forget data, we propose an iterative unlearning framework, where we make incremental adjustments to the model's weight space with parameter-efficient modules trained on the forget data. Experimental results demonstrate that our method balances the tradeoff between forget quality and utility preservation.

As large language models (LLMs) are increasingly deployed across various applications, privacy and copyright concerns have heightened the need for more effective LLM unlearning techniques. Many existing unlearning methods aim to suppress undesirable outputs through additional training (e.g., gradient ascent), which reduces the probability of generating such outputs. While such suppression-based approaches can control model outputs, they may not eliminate the underlying knowledge embedded in the model's internal activations; muting a response is not the same as forgetting it. Moreover, such suppression-based methods often suffer from model collapse. To address these issues, we propose a novel unlearning method that directly intervenes in the model's internal activations. In our formulation, forgetting is defined as a state in which the activation of a forgotten target is indistinguishable from that of ``unknown'' entities. Our method introduces an unlearning objective that modifies the activation of the target entity away from those of known entities and toward those of unknown entities in a sparse autoencoder latent space. By aligning the target's internal activation with those of unknown entities, we shift the model's recognition of the target entity from ``known'' to ``unknown'', achieving genuine forgetting while avoiding over-suppression and model collapse. Empirically, we show that our method effectively aligns the internal activations of the forgotten target, a result that the suppression-based approaches do not reliably achieve. Additionally, our method effectively reduces the model's recall of target knowledge in question-answering tasks without significant damage to the non-target knowledge.

Generating images from brain waves is gaining increasing attention due to its potential to advance brain-computer interface (BCI) systems by understanding how brain signals encode visual cues. Most of the literature has focused on fMRI-to-Image tasks as fMRI is characterized by high spatial resolution. However, fMRI is an expensive neuroimaging modality and does not allow for real-time BCI. On the other hand, electroencephalography (EEG) is a low-cost, non-invasive, and portable neuroimaging technique, making it an attractive option for future real-time applications. Nevertheless, EEG presents inherent challenges due to its low spatial resolution and susceptibility to noise and artifacts, which makes generating images from EEG more difficult. In this paper, we address these problems with a streamlined framework based on the ControlNet adapter for conditioning a latent diffusion model (LDM) through EEG signals. We conduct experiments and ablation studies on popular benchmarks to demonstrate that the proposed method beats other state-of-the-art models. Unlike these methods, which often require extensive preprocessing, pretraining, different losses, and captioning models, our approach is efficient and straightforward, requiring only minimal preprocessing and a few components. Code will be available after publication.

Large Language Models (LLMs) frequently memorize long sequences verbatim, often with serious legal and privacy implications. Much prior work has studied such verbatim memorization using observational data. To complement such work, we develop a framework to study verbatim memorization in a controlled setting by continuing pre-training from Pythia checkpoints with injected sequences. We find that (1) non-trivial amounts of repetition are necessary for verbatim memorization to happen; (2) later (and presumably better) checkpoints are more likely to verbatim memorize sequences, even for out-of-distribution sequences; (3) the generation of memorized sequences is triggered by distributed model states that encode high-level features and makes important use of general language modeling capabilities. Guided by these insights, we develop stress tests to evaluate unlearning methods and find they often fail to remove the verbatim memorized information, while also degrading the LM. Overall, these findings challenge the hypothesis that verbatim memorization stems from specific model weights or mechanisms. Rather, verbatim memorization is intertwined with the LM's general capabilities and thus will be very difficult to isolate and suppress without degrading model quality.

We present weight normalization: a reparameterization of the weight vectors in a neural network that decouples the length of those weight vectors from their direction. By reparameterizing the weights in this way we improve the conditioning of the optimization problem and we speed up convergence of stochastic gradient descent. Our reparameterization is inspired by batch normalization but does not introduce any dependencies between the examples in a minibatch. This means that our method can also be applied successfully to recurrent models such as LSTMs and to noise-sensitive applications such as deep reinforcement learning or generative models, for which batch normalization is less well suited. Although our method is much simpler, it still provides much of the speed-up of full batch normalization. In addition, the computational overhead of our method is lower, permitting more optimization steps to be taken in the same amount of time. We demonstrate the usefulness of our method on applications in supervised image recognition, generative modelling, and deep reinforcement learning.

Diffusion models are generative models that have recently demonstrated impressive performances in terms of sampling quality and density estimation in high dimensions. They rely on a forward continuous diffusion process and a backward continuous denoising process, which can be described by a time-dependent vector field and is used as a generative model. In the original formulation of the diffusion model, this vector field is assumed to be the score function (i.e. it is the gradient of the log-probability at a given time in the diffusion process). Curiously, on the practical side, most studies on diffusion models implement this vector field as a neural network function and do not constrain it be the gradient of some energy function (that is, most studies do not constrain the vector field to be conservative). Even though some studies investigated empirically whether such a constraint will lead to a performance gain, they lead to contradicting results and failed to provide analytical results. Here, we provide three analytical results regarding the extent of the modeling freedom of this vector field. {Firstly, we propose a novel decomposition of vector fields into a conservative component and an orthogonal component which satisfies a given (gauge) freedom. Secondly, from this orthogonal decomposition, we show that exact density estimation and exact sampling is achieved when the conservative component is exactly equals to the true score and therefore conservativity is neither necessary nor sufficient to obtain exact density estimation and exact sampling. Finally, we show that when it comes to inferring local information of the data manifold, constraining the vector field to be conservative is desirable.