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Sep 29

ScholarChemQA: Unveiling the Power of Language Models in Chemical Research Question Answering

Question Answering (QA) effectively evaluates language models' reasoning and knowledge depth. While QA datasets are plentiful in areas like general domain and biomedicine, academic chemistry is less explored. Chemical QA plays a crucial role in both education and research by effectively translating complex chemical information into readily understandable format. Addressing this gap, we introduce ScholarChemQA, a large-scale QA dataset constructed from chemical papers. This dataset reflects typical real-world challenges, including an imbalanced data distribution and a substantial amount of unlabeled data that can be potentially useful. Correspondingly, we introduce a QAMatch model, specifically designed to effectively answer chemical questions by fully leveraging our collected data. We first address the issue of imbalanced label distribution by re-weighting the instance-wise loss based on the inverse frequency of each class, ensuring minority classes are not dominated by majority ones during optimization. Next, we utilize the unlabeled data to enrich the learning process, generating a variety of augmentations based on a SoftMix operation and ensuring their predictions align with the same target, i.e., pseudo-labels. To ensure the quality of the pseudo-labels, we propose a calibration procedure aimed at closely aligning the pseudo-label estimates of individual samples with a desired ground truth distribution. Experiments show that our QAMatch significantly outperforms the recent similar-scale baselines and Large Language Models (LLMs) not only on our ScholarChemQA dataset but also on four benchmark datasets. We hope our benchmark and model can facilitate and promote more research on chemical QA.

  • 10 authors
·
Jul 23, 2024

Conditional Hypothesis Generation for LLM-Based Text Analysis with Researcher-Specified Covariates

A core goal of computational social science is to discover interpretable differences in how language varies across outcomes of interest, such as political affiliation or instructional quality. Recent LLM-based hypothesis generation methods describe such differences in natural language, but select for globally discriminative patterns without accounting for covariates that shape the data based on researchers' domain knowledge. When covariates are ignored, selected patterns can reflect confounds rather than differences of substantive interest. We introduce conditional hypothesis generation, a framework that incorporates researcher-specified covariates to steer hypothesis discovery toward differences that hold within relevant subgroups. Two challenges arise: the target subgroup may be underrepresented (stratum imbalance), and the direction of a difference may reverse across subgroups (sign reversal). We propose two econometrics-inspired methods: one introduces feature--covariate interactions to detect sign reversals, and the other applies within-stratum demeaning and inverse-frequency reweighting to equalize underrepresented strata. Synthetic experiments show each method outperforms global baselines in its targeted setting, and expert evaluation on two real-world datasets confirms that covariate-aware generation surfaces more useful hypotheses within relevant subgroups.

GEC-RAG: Improving Generative Error Correction via Retrieval-Augmented Generation for Automatic Speech Recognition Systems

Automatic Speech Recognition (ASR) systems have demonstrated remarkable performance across various applications. However, limited data and the unique language features of specific domains, such as low-resource languages, significantly degrade their performance and lead to higher Word Error Rates (WER). In this study, we propose Generative Error Correction via Retrieval-Augmented Generation (GEC-RAG), a novel approach designed to improve ASR accuracy for low-resource domains, like Persian. Our approach treats the ASR system as a black-box, a common practice in cloud-based services, and proposes a Retrieval-Augmented Generation (RAG) approach within the In-Context Learning (ICL) scheme to enhance the quality of ASR predictions. By constructing a knowledge base that pairs ASR predictions (1-best and 5-best hypotheses) with their corresponding ground truths, GEC-RAG retrieves lexically similar examples to the ASR transcription using the Term Frequency-Inverse Document Frequency (TF-IDF) measure. This process provides relevant error patterns of the system alongside the ASR transcription to the Generative Large Language Model (LLM), enabling targeted corrections. Our results demonstrate that this strategy significantly reduces WER in Persian and highlights a potential for domain adaptation and low-resource scenarios. This research underscores the effectiveness of using RAG in enhancing ASR systems without requiring direct model modification or fine-tuning, making it adaptable to any domain by simply updating the transcription knowledge base with domain-specific data.

  • 7 authors
·
Jan 17, 2025

Solving High Frequency and Multi-Scale PDEs with Gaussian Processes

Machine learning based solvers have garnered much attention in physical simulation and scientific computing, with a prominent example, physics-informed neural networks (PINNs). However, PINNs often struggle to solve high-frequency and multi-scale PDEs, which can be due to spectral bias during neural network training. To address this problem, we resort to the Gaussian process (GP) framework. To flexibly capture the dominant frequencies, we model the power spectrum of the PDE solution with a student t mixture or Gaussian mixture. We apply the inverse Fourier transform to obtain the covariance function (by Wiener-Khinchin theorem). The covariance derived from the Gaussian mixture spectrum corresponds to the known spectral mixture kernel. Next, we estimate the mixture weights in the log domain, which we show is equivalent to placing a Jeffreys prior. It automatically induces sparsity, prunes excessive frequencies, and adjusts the remaining toward the ground truth. Third, to enable efficient and scalable computation on massive collocation points, which are critical to capture high frequencies, we place the collocation points on a grid, and multiply our covariance function at each input dimension. We use the GP conditional mean to predict the solution and its derivatives so as to fit the boundary condition and the equation itself. As a result, we can derive a Kronecker product structure in the covariance matrix. We use Kronecker product properties and multilinear algebra to promote computational efficiency and scalability, without low-rank approximations. We show the advantage of our method in systematic experiments. The code is released at https://github.com/xuangu-fang/Gaussian-Process-Slover-for-High-Freq-PDE.

  • 6 authors
·
Nov 8, 2023

Frequency-Aware Deepfake Detection: Improving Generalizability through Frequency Space Learning

This research addresses the challenge of developing a universal deepfake detector that can effectively identify unseen deepfake images despite limited training data. Existing frequency-based paradigms have relied on frequency-level artifacts introduced during the up-sampling in GAN pipelines to detect forgeries. However, the rapid advancements in synthesis technology have led to specific artifacts for each generation model. Consequently, these detectors have exhibited a lack of proficiency in learning the frequency domain and tend to overfit to the artifacts present in the training data, leading to suboptimal performance on unseen sources. To address this issue, we introduce a novel frequency-aware approach called FreqNet, centered around frequency domain learning, specifically designed to enhance the generalizability of deepfake detectors. Our method forces the detector to continuously focus on high-frequency information, exploiting high-frequency representation of features across spatial and channel dimensions. Additionally, we incorporate a straightforward frequency domain learning module to learn source-agnostic features. It involves convolutional layers applied to both the phase spectrum and amplitude spectrum between the Fast Fourier Transform (FFT) and Inverse Fast Fourier Transform (iFFT). Extensive experimentation involving 17 GANs demonstrates the effectiveness of our proposed method, showcasing state-of-the-art performance (+9.8\%) while requiring fewer parameters. The code is available at {\cred https://github.com/chuangchuangtan/FreqNet-DeepfakeDetection}.

  • 6 authors
·
Mar 11, 2024

NeFII: Inverse Rendering for Reflectance Decomposition with Near-Field Indirect Illumination

Inverse rendering methods aim to estimate geometry, materials and illumination from multi-view RGB images. In order to achieve better decomposition, recent approaches attempt to model indirect illuminations reflected from different materials via Spherical Gaussians (SG), which, however, tends to blur the high-frequency reflection details. In this paper, we propose an end-to-end inverse rendering pipeline that decomposes materials and illumination from multi-view images, while considering near-field indirect illumination. In a nutshell, we introduce the Monte Carlo sampling based path tracing and cache the indirect illumination as neural radiance, enabling a physics-faithful and easy-to-optimize inverse rendering method. To enhance efficiency and practicality, we leverage SG to represent the smooth environment illuminations and apply importance sampling techniques. To supervise indirect illuminations from unobserved directions, we develop a novel radiance consistency constraint between implicit neural radiance and path tracing results of unobserved rays along with the joint optimization of materials and illuminations, thus significantly improving the decomposition performance. Extensive experiments demonstrate that our method outperforms the state-of-the-art on multiple synthetic and real datasets, especially in terms of inter-reflection decomposition.Our code and data are available at https://woolseyyy.github.io/nefii/.

  • 6 authors
·
Mar 29, 2023

Transform Once: Efficient Operator Learning in Frequency Domain

Spectral analysis provides one of the most effective paradigms for information-preserving dimensionality reduction, as simple descriptions of naturally occurring signals are often obtained via few terms of periodic basis functions. In this work, we study deep neural networks designed to harness the structure in frequency domain for efficient learning of long-range correlations in space or time: frequency-domain models (FDMs). Existing FDMs are based on complex-valued transforms i.e. Fourier Transforms (FT), and layers that perform computation on the spectrum and input data separately. This design introduces considerable computational overhead: for each layer, a forward and inverse FT. Instead, this work introduces a blueprint for frequency domain learning through a single transform: transform once (T1). To enable efficient, direct learning in the frequency domain we derive a variance-preserving weight initialization scheme and investigate methods for frequency selection in reduced-order FDMs. Our results noticeably streamline the design process of FDMs, pruning redundant transforms, and leading to speedups of 3x to 10x that increase with data resolution and model size. We perform extensive experiments on learning the solution operator of spatio-temporal dynamics, including incompressible Navier-Stokes, turbulent flows around airfoils and high-resolution video of smoke. T1 models improve on the test performance of FDMs while requiring significantly less computation (5 hours instead of 32 for our large-scale experiment), with over 20% reduction in average predictive error across tasks.

  • 7 authors
·
Nov 25, 2022

Global Inverse Design Across Multiple Photonic Structure Classes Using Generative Deep Learning

Understanding how nano- or micro-scale structures and material properties can be optimally configured to attain specific functionalities remains a fundamental challenge. Photonic metasurfaces, for instance, can be spectrally tuned through material choice and structural geometry to achieve unique optical responses. However, existing numerical design methods require prior identification of specific material-structure combinations, or device classes, as the starting point for optimization. As such, a unified solution that simultaneously optimizes across materials and geometries has yet to be realized. To overcome these challenges, we present a global deep learning-based inverse design framework, where a conditional deep convolutional generative adversarial network is trained on colored images encoded with a range of material and structural parameters, including refractive index, plasma frequency, and geometric design. We demonstrate that, in response to target absorption spectra, the network can identify an effective metasurface in terms of its class, materials properties, and overall shape. Furthermore, the model can arrive at multiple design variants with distinct materials and structures that present nearly identical absorption spectra. Our proposed framework is thus an important step towards global photonics and materials design strategies that can identify combinations of device categories, material properties, and geometric parameters which algorithmically deliver a sought functionality.

  • 9 authors
·
Dec 31, 2020

iSTFTNet: Fast and Lightweight Mel-Spectrogram Vocoder Incorporating Inverse Short-Time Fourier Transform

In recent text-to-speech synthesis and voice conversion systems, a mel-spectrogram is commonly applied as an intermediate representation, and the necessity for a mel-spectrogram vocoder is increasing. A mel-spectrogram vocoder must solve three inverse problems: recovery of the original-scale magnitude spectrogram, phase reconstruction, and frequency-to-time conversion. A typical convolutional mel-spectrogram vocoder solves these problems jointly and implicitly using a convolutional neural network, including temporal upsampling layers, when directly calculating a raw waveform. Such an approach allows skipping redundant processes during waveform synthesis (e.g., the direct reconstruction of high-dimensional original-scale spectrograms). By contrast, the approach solves all problems in a black box and cannot effectively employ the time-frequency structures existing in a mel-spectrogram. We thus propose iSTFTNet, which replaces some output-side layers of the mel-spectrogram vocoder with the inverse short-time Fourier transform (iSTFT) after sufficiently reducing the frequency dimension using upsampling layers, reducing the computational cost from black-box modeling and avoiding redundant estimations of high-dimensional spectrograms. During our experiments, we applied our ideas to three HiFi-GAN variants and made the models faster and more lightweight with a reasonable speech quality. Audio samples are available at https://www.kecl.ntt.co.jp/people/kaneko.takuhiro/projects/istftnet/.

  • 4 authors
·
Mar 4, 2022

Harnessing Selective State Space Models to Enhance Semianalytical Design of Fabrication-Ready Multilayered Huygens' Metasurfaces: Part II - Generative Inverse Design (MetaMamba)

We present a generative framework for inverse design of five-layer transmissive Huygens' metasurfaces (HMSs), addressing a longstanding challenge in achieving full-phase, high-efficiency unit cell designs with minimal full-wave simulations. The key to achieving this is our reliance on the field-based semianalytical (SA) scheme developed in Part I of this paper, which allows rapid and highly effective synthesis of such multilayer composites, however with limited accuracy. To overcome the prohibitive data demands of traditional pipelines, we employ Mamba, a selective state space model well suited for long-range sequence modeling as the backbone of our learning framework. A bidirectional Mamba (Bi-Mamba) forward surrogate is first trained on SA-generated data and subsequently fine-tuned with full-wave CST samples. An ablation over a 1080-sample CST pool shows that as few as 270 full-wave calibration samples suffice to reach near-CST-level agreement at a fraction of the simulation cost. An autoregressive Mamba inverse generator is subsequently trained on surrogate-augmented data, treating unit-cell synthesis as a sequential generation task. The resulting one-to-many generative model produces diverse unit cell geometries conditioned on target scattering responses. It achieves CST-validated designs with field transmission magnitude 0.9 across the full 0-2π phase range at 20 GHz. Moreover, a CST-calibrated surrogate trained to accurately predict frequency responses (18-22 GHz) enables functional post-selection of inverse generated designs. Together, the hybrid SA-generative methodology in this two-part compilation establishes a scalable and data-efficient solution for multilayer HMS synthesis, with natural extensions toward broadband, oblique-incidence, and higher-dimensional electromagnetic inverse-design problems.

  • 5 authors
·
Mar 4

DebCSE: Rethinking Unsupervised Contrastive Sentence Embedding Learning in the Debiasing Perspective

Several prior studies have suggested that word frequency biases can cause the Bert model to learn indistinguishable sentence embeddings. Contrastive learning schemes such as SimCSE and ConSERT have already been adopted successfully in unsupervised sentence embedding to improve the quality of embeddings by reducing this bias. However, these methods still introduce new biases such as sentence length bias and false negative sample bias, that hinders model's ability to learn more fine-grained semantics. In this paper, we reexamine the challenges of contrastive sentence embedding learning from a debiasing perspective and argue that effectively eliminating the influence of various biases is crucial for learning high-quality sentence embeddings. We think all those biases are introduced by simple rules for constructing training data in contrastive learning and the key for contrastive learning sentence embedding is to mimic the distribution of training data in supervised machine learning in unsupervised way. We propose a novel contrastive framework for sentence embedding, termed DebCSE, which can eliminate the impact of these biases by an inverse propensity weighted sampling method to select high-quality positive and negative pairs according to both the surface and semantic similarity between sentences. Extensive experiments on semantic textual similarity (STS) benchmarks reveal that DebCSE significantly outperforms the latest state-of-the-art models with an average Spearman's correlation coefficient of 80.33% on BERTbase.

  • 3 authors
·
Sep 13, 2023

Unsupervised Single-Channel Audio Separation with Diffusion Source Priors

Single-channel audio separation aims to separate individual sources from a single-channel mixture. Most existing methods rely on supervised learning with synthetically generated paired data. However, obtaining high-quality paired data in real-world scenarios is often difficult. This data scarcity can degrade model performance under unseen conditions and limit generalization ability. To this end, in this work, we approach this problem from an unsupervised perspective, framing it as a probabilistic inverse problem. Our method requires only diffusion priors trained on individual sources. Separation is then achieved by iteratively guiding an initial state toward the solution through reconstruction guidance. Importantly, we introduce an advanced inverse problem solver specifically designed for separation, which mitigates gradient conflicts caused by interference between the diffusion prior and reconstruction guidance during inverse denoising. This design ensures high-quality and balanced separation performance across individual sources. Additionally, we find that initializing the denoising process with an augmented mixture instead of pure Gaussian noise provides an informative starting point that significantly improves the final performance. To further enhance audio prior modeling, we design a novel time-frequency attention-based network architecture that demonstrates strong audio modeling capability. Collectively, these improvements lead to significant performance gains, as validated across speech-sound event, sound event, and speech separation tasks.

  • 8 authors
·
Dec 22, 2025

Diffusion Probabilistic Model Made Slim

Despite the recent visually-pleasing results achieved, the massive computational cost has been a long-standing flaw for diffusion probabilistic models (DPMs), which, in turn, greatly limits their applications on resource-limited platforms. Prior methods towards efficient DPM, however, have largely focused on accelerating the testing yet overlooked their huge complexity and sizes. In this paper, we make a dedicated attempt to lighten DPM while striving to preserve its favourable performance. We start by training a small-sized latent diffusion model (LDM) from scratch, but observe a significant fidelity drop in the synthetic images. Through a thorough assessment, we find that DPM is intrinsically biased against high-frequency generation, and learns to recover different frequency components at different time-steps. These properties make compact networks unable to represent frequency dynamics with accurate high-frequency estimation. Towards this end, we introduce a customized design for slim DPM, which we term as Spectral Diffusion (SD), for light-weight image synthesis. SD incorporates wavelet gating in its architecture to enable frequency dynamic feature extraction at every reverse steps, and conducts spectrum-aware distillation to promote high-frequency recovery by inverse weighting the objective based on spectrum magni tudes. Experimental results demonstrate that, SD achieves 8-18x computational complexity reduction as compared to the latent diffusion models on a series of conditional and unconditional image generation tasks while retaining competitive image fidelity.

  • 4 authors
·
Nov 27, 2022

LoCA: Location-Aware Cosine Adaptation for Parameter-Efficient Fine-Tuning

Low-rank adaptation (LoRA) has become a prevalent method for adapting pre-trained large language models to downstream tasks. However, the simple low-rank decomposition form may constrain the hypothesis space. To address this limitation, we introduce Location-aware Cosine Adaptation (LoCA), a novel frequency-domain parameter-efficient fine-tuning method based on inverse Discrete Cosine Transform (iDCT) with selective locations of learnable components. We begin with a comprehensive theoretical comparison between frequency-domain and low-rank decompositions for fine-tuning pre-trained large models. Our analysis reveals that frequency-domain decomposition with carefully selected frequency components can surpass the expressivity of traditional low-rank-based methods. Furthermore, we demonstrate that iDCT offers a more efficient implementation compared to inverse Discrete Fourier Transform (iDFT), allowing for better selection and tuning of frequency components while maintaining equivalent expressivity to the optimal iDFT-based adaptation. By employing finite-difference approximation to estimate gradients for discrete locations of learnable coefficients on the DCT spectrum, LoCA dynamically selects the most informative frequency components during training. Experiments on diverse language and vision fine-tuning tasks demonstrate that LoCA offers enhanced parameter efficiency while maintains computational feasibility comparable to low-rank-based methods.

  • 8 authors
·
Feb 4, 2025

FourierMoE: Fourier Mixture-of-Experts Adaptation of Large Language Models

Parameter-efficient fine-tuning (PEFT) has emerged as a crucial paradigm for adapting large language models (LLMs) under constrained computational budgets. However, standard PEFT methods often struggle in multi-task fine-tuning settings, where diverse optimization objectives induce task interference and limited parameter budgets lead to representational deficiency. While recent approaches incorporate mixture-of-experts (MoE) to alleviate these issues, they predominantly operate in the spatial domain, which may introduce structural redundancy and parameter overhead. To overcome these limitations, we reformulate adaptation in the spectral domain. Our spectral analysis reveals that different tasks exhibit distinct frequency energy distributions, and that LLM layers display heterogeneous frequency sensitivities. Motivated by these insights, we propose FourierMoE, which integrates the MoE architecture with the inverse discrete Fourier transform (IDFT) for frequency-aware adaptation. Specifically, FourierMoE employs a frequency-adaptive router to dispatch tokens to experts specialized in distinct frequency bands. Each expert learns a set of conjugate-symmetric complex coefficients, preserving complete phase and amplitude information while theoretically guaranteeing lossless IDFT reconstruction into real-valued spatial weights. Extensive evaluations across 28 benchmarks, multiple model architectures, and scales demonstrate that FourierMoE consistently outperforms competitive baselines in both single-task and multi-task settings while using significantly fewer trainable parameters. These results highlight the promise of spectral-domain expert adaptation as an effective and parameter-efficient paradigm for LLM fine-tuning.

  • 5 authors
·
Apr 1

TAMF-VTON: Texture-Aware Mask-Free Virtual Try-On via High-Fidelity Image Synthesis

Recent diffusion-based virtual try-on (VTON) methods remain limited by their reliance on segmentation masks, insufficient preservation of fine-grained textures, and limited support for arbitrary multi-garment compositions. Consequently, existing approaches still face significant challenges in real-world e-commerce deployment. We present TAMF-VTON, a texture-aware, mask-free framework that enables high-fidelity image synthesis under practical unconstrained conditions. Our method requires no human parsing or inpainting masks at inference time and supports diverse garment styles, categories, and quantities, enabling the simultaneous transfer of multiple items while preserving body structure and intricate texture details. This is achieved through a unified generative pipeline with three key components: (1) a lightweight Mixture-of-Experts (MoE) adaptation scheme that enables efficient fine-tuning without compromising the base model's general editing capabilities; (2) a frequency-domain supervision mechanism that explicitly optimizes high-frequency spectral consistency to preserve high-fidelity textures; and (3) a robust data curation pipeline employing an adaptive inpainting strategy to simulate the inverse VTON process for high-quality training pair generation. Extensive experiments demonstrate that our approach outperforms state-of-the-art methods in both quantitative metrics and perceptual quality. Optimized for efficiency, the model achieves inference in under 15 seconds per image on an NVIDIA RTX 4090 with INT4 quantization. By combining mask-free operation, flexible multi-garment composition, faithful texture preservation, and efficient inference on consumer hardware, TAMF-VTON demonstrates a commercially viable solution for scalable deployment in real-world digital fashion scenarios. The project is available at https://www.style3d.ai/ai-photoshoot/virtual-clothing-try-on.

  • 5 authors
·
Jul 15

Inverse Scaling: When Bigger Isn't Better

Work on scaling laws has found that large language models (LMs) show predictable improvements to overall loss with increased scale (model size, training data, and compute). Here, we present evidence for the claim that LMs may show inverse scaling, or worse task performance with increased scale, e.g., due to flaws in the training objective and data. We present empirical evidence of inverse scaling on 11 datasets collected by running a public contest, the Inverse Scaling Prize, with a substantial prize pool. Through analysis of the datasets, along with other examples found in the literature, we identify four potential causes of inverse scaling: (i) preference to repeat memorized sequences over following in-context instructions, (ii) imitation of undesirable patterns in the training data, (iii) tasks containing an easy distractor task which LMs could focus on, rather than the harder real task, and (iv) correct but misleading few-shot demonstrations of the task. We release the winning datasets at https://inversescaling.com/data to allow for further investigation of inverse scaling. Our tasks have helped drive the discovery of U-shaped and inverted-U scaling trends, where an initial trend reverses, suggesting that scaling trends are less reliable at predicting the behavior of larger-scale models than previously understood. Overall, our results suggest that there are tasks for which increased model scale alone may not lead to progress, and that more careful thought needs to go into the data and objectives for training language models.

  • 27 authors
·
Jun 15, 2023

Dominant Shuffle: A Simple Yet Powerful Data Augmentation for Time-series Prediction

Recent studies have suggested frequency-domain Data augmentation (DA) is effec tive for time series prediction. Existing frequency-domain augmentations disturb the original data with various full-spectrum noises, leading to excess domain gap between augmented and original data. Although impressive performance has been achieved in certain cases, frequency-domain DA has yet to be generalized to time series prediction datasets. In this paper, we found that frequency-domain augmentations can be significantly improved by two modifications that limit the perturbations. First, we found that limiting the perturbation to only dominant frequencies significantly outperforms full-spectrum perturbations. Dominant fre quencies represent the main periodicity and trends of the signal and are more important than other frequencies. Second, we found that simply shuffling the dominant frequency components is superior over sophisticated designed random perturbations. Shuffle rearranges the original components (magnitudes and phases) and limits the external noise. With these two modifications, we proposed dominant shuffle, a simple yet effective data augmentation for time series prediction. Our method is very simple yet powerful and can be implemented with just a few lines of code. Extensive experiments with eight datasets and six popular time series models demonstrate that our method consistently improves the baseline performance under various settings and significantly outperforms other DA methods. Code can be accessed at https://kaizhao.net/time-series.

  • 4 authors
·
May 25, 2024

NSTR: Neural Spectral Transport Representation for Space-Varying Frequency Fields

Implicit Neural Representations (INRs) have emerged as a powerful paradigm for representing signals such as images, audio, and 3D scenes. However, existing INR frameworks -- including MLPs with Fourier features, SIREN, and multiresolution hash grids -- implicitly assume a global and stationary spectral basis. This assumption is fundamentally misaligned with real-world signals whose frequency characteristics vary significantly across space, exhibiting local high-frequency textures, smooth regions, and frequency drift phenomena. We propose Neural Spectral Transport Representation (NSTR), the first INR framework that explicitly models a spatially varying local frequency field. NSTR introduces a learnable frequency transport equation, a PDE that governs how local spectral compositions evolve across space. Given a learnable local spectrum field S(x) and a frequency transport network F_θ enforcing nabla S(x) approx F_θ(x, S(x)), NSTR reconstructs signals by spatially modulating a compact set of global sinusoidal bases. This formulation enables strong local adaptivity and offers a new level of interpretability via visualizing frequency flows. Experiments on 2D image regression, audio reconstruction, and implicit 3D geometry show that NSTR achieves significantly better accuracy-parameter trade-offs than SIREN, Fourier-feature MLPs, and Instant-NGP. NSTR requires fewer global frequencies, converges faster, and naturally explains signal structure through spectral transport fields. We believe NSTR opens a new direction in INR research by introducing explicit modeling of space-varying spectrum.

  • 1 authors
·
Nov 23, 2025

Searching for Materials with High Refractive Index and Wide Band Gap: A First-Principles High-Throughput Study

Materials combining both a high refractive index and a wide band gap are of great interest for optoelectronic and sensor applications. However, these two properties are typically described by an inverse correlation with high refractive index appearing in small gap materials and vice-versa. Here, we conduct a first-principles high-throughput study on more than 4000 semiconductors (with a special focus on oxides). Our data confirm the general inverse trend between refractive index and band gap but interesting outliers are also identified. The data are then analyzed through a simple model involving two main descriptors: the average optical gap and the effective frequency. The former can be determined directly from the electronic structure of the compounds, but the latter cannot. This calls for further analysis in order to obtain a predictive model. Nonetheless, it turns out that the negative effect of a large band gap on the refractive index can counterbalanced in two ways: (i) by limiting the difference between the direct band gap and the average optical gap which can be realized by a narrow distribution in energy of the optical transitions and (ii) by increasing the effective frequency which can be achieved through either a high number of transitions from the top of the valence band to the bottom of the conduction or a high average probability for these transitions. Focusing on oxides, we use our data to investigate how the chemistry influences this inverse relationship and rationalize why certain classes of materials would perform better. Our findings can be used to search for new compounds in many optical applications both in the linear and non-linear regime (waveguides, optical modulators, laser, frequency converter, etc.).

  • 6 authors
·
Sep 4, 2018

Frequency-Specific Neural Response and Cross-Correlation Analysis of Envelope Following Responses to Native Speech and Music Using Multichannel EEG Signals: A Case Study

Although native speech and music envelope following responses (EFRs) play a crucial role in auditory processing and cognition, their frequency profile, such as the dominating frequency and spectral coherence, is largely unknown. We have assumed that the auditory pathway - which transmits envelope components of speech and music to the scalp through time-varying neurophysiological processes - is a linear time-varying system, with the envelope and the multi-channel EEG responses as excitation and response, respectively. This paper investigates the transfer function of this system through two analytical techniques - time-averaged spectral responses and cross-spectral density - in the frequency domain at four different positions of the human scalp. Our findings suggest that alpha (8-11 Hz), lower gamma (53-56 Hz), and higher gamma (78-81 Hz) bands are the peak responses of the system. These frequently appearing dominant frequency responses may be the key components of familiar speech perception, maintaining attention, binding acoustic features, and memory processing. The cross-spectral density, which reflects the spatial neural coherence of the human brain, shows that 10-13 Hz, 27-29 Hz, and 62-64 Hz are common for all channel pairs. As neural coherences are frequently observed in these frequencies among native participants, we suggest that these distributed neural processes are also dominant in native speech and music perception.

  • 4 authors
·
Jul 7, 2025

Fourier is Frontier: Frequency-Aware Autoencoding for High-Fidelity Music Reconstruction

Continuous-latent audio autoencoders form the backbone of latent music generators, yet decoders at high compression rates commonly exhibit three failure modes: high-frequency loss, phase incoherence, and stereo-image collapse. These share a structural root: waveform autoencoders lack an explicit frequency axis, leaving no handle for targeted per-band correction. Among five matched-budget representations, the complex STFT achieves the lowest full-band and high-frequency spectral distances, providing direct access to magnitude and phase at every bin. Building on this, we present ear-VAE2, a complex-spectral autoencoder with cross-channel interaction. Spec-SnakeBeta learns a periodic activation per frequency bin with frequency-dependent initialization, outperforming other activation variants while using fewer parameters than the fully independent variant. Duplex-Aware Refiner applies band-specific corrections to magnitude and phase following duplex theory of sound localization. On the 546-track Song Describer Dataset, ear-VAE2 achieves the best point estimates on five of seven reconstruction metrics. The Duplex-Aware Refiner reduces Mel Distance by 19.4% and uses ~45% fewer residual-output dimensions than the Unconstrained Refiner, while also lowering spectral distances, spatial-cue errors, and receiving higher ratings from professional engineers. The downstream generator using ear-VAE2 latents achieves better point estimates on all 12 automatic metrics.Demo page is available at https://eps-acoustic-revolution-lab.github.io/EAR_VAE2/.

  • 3 authors
·
Aug 19

FreSh: Frequency Shifting for Accelerated Neural Representation Learning

Implicit Neural Representations (INRs) have recently gained attention as a powerful approach for continuously representing signals such as images, videos, and 3D shapes using multilayer perceptrons (MLPs). However, MLPs are known to exhibit a low-frequency bias, limiting their ability to capture high-frequency details accurately. This limitation is typically addressed by incorporating high-frequency input embeddings or specialized activation layers. In this work, we demonstrate that these embeddings and activations are often configured with hyperparameters that perform well on average but are suboptimal for specific input signals under consideration, necessitating a costly grid search to identify optimal settings. Our key observation is that the initial frequency spectrum of an untrained model's output correlates strongly with the model's eventual performance on a given target signal. Leveraging this insight, we propose frequency shifting (or FreSh), a method that selects embedding hyperparameters to align the frequency spectrum of the model's initial output with that of the target signal. We show that this simple initialization technique improves performance across various neural representation methods and tasks, achieving results comparable to extensive hyperparameter sweeps but with only marginal computational overhead compared to training a single model with default hyperparameters.

  • 5 authors
·
Oct 7, 2024

FRCRN: Boosting Feature Representation using Frequency Recurrence for Monaural Speech Enhancement

Convolutional recurrent networks (CRN) integrating a convolutional encoder-decoder (CED) structure and a recurrent structure have achieved promising performance for monaural speech enhancement. However, feature representation across frequency context is highly constrained due to limited receptive fields in the convolutions of CED. In this paper, we propose a convolutional recurrent encoder-decoder (CRED) structure to boost feature representation along the frequency axis. The CRED applies frequency recurrence on 3D convolutional feature maps along the frequency axis following each convolution, therefore, it is capable of catching long-range frequency correlations and enhancing feature representations of speech inputs. The proposed frequency recurrence is realized efficiently using a feedforward sequential memory network (FSMN). Besides the CRED, we insert two stacked FSMN layers between the encoder and the decoder to model further temporal dynamics. We name the proposed framework as Frequency Recurrent CRN (FRCRN). We design FRCRN to predict complex Ideal Ratio Mask (cIRM) in complex-valued domain and optimize FRCRN using both time-frequency-domain and time-domain losses. Our proposed approach achieved state-of-the-art performance on wideband benchmark datasets and achieved 2nd place for the real-time fullband track in terms of Mean Opinion Score (MOS) and Word Accuracy (WAcc) in the ICASSP 2022 Deep Noise Suppression (DNS) challenge (https://github.com/alibabasglab/FRCRN).

  • 4 authors
·
Jun 15, 2022

Moonlight in Latent Space: Chirality and Structural Correspondence Between Beethoven's Op. 27 No. 2 and Machine Learning Mechanisms

We show that the three movements of Beethoven's "Moonlight Sonata" (Op. 27 No. 2) instantiate three distinct machine learning architectures -- not by analogy, but by structural correspondence. Through computational analysis of the score (entropy, Jensen-Shannon divergence, dissonance, hand distributional overlap, self-similarity matrices, temporal memory decay, and contextual pitch embeddings), we establish four counterintuitive findings: (1) perceived musical "temperature" is governed by throughput, not distributional width; (2) the lightest movement carries the highest dissonance; (3) the movements implement streaming, recurrent, and periodic positional encoding memory architectures; and (4) the same pitch class acquires different contextual identities across movements, analogous to contextual vs.static embeddings in NLP -- and unsupervised clustering recovers the tonal structure without music-theoretic input. We construct a reverse sonification (decoding analytical features back into MIDI) and quantify the chirality of the encode-decode cycle: what distributions preserve and sequential ordering destroys. Prompted by a listener's observation that the decoded piece sounds like "mirror isomers that can't be superimposed," the chirality measurement reveals reconstruction loss increasing monotonically with n-gram order. Bootstrap baselines and subsample checks confirm all movements carry sequential information above noise, though raw values are confounded by sample size. Cross-domain comparison shows natural language has higher chirality than music, reflecting stronger sequential constraints.

  • 2 authors
·
Jun 11

FreqLite: A Lightweight Frequency-Decomposed Linear Model with Adaptive Reversible Normalization for Robust Long-Term Time-Series Forecasting

Long-term time-series forecasting needs models that are accurate yet efficient enough for commodity hardware. Lightweight linear forecasters are remarkably strong in this regime, yet they leave two openings: reversible instance normalization (RevIN) de-normalizes the entire horizon with a single lookback statistic, which is inaccurate under non-stationarity, and time-domain trend/seasonal decomposition relies on a fixed, non-adaptive filter. We present FreqLite, an ultra-lightweight, channel-independent frequency-decomposed linear forecaster: a learnable, lossless, partition-of-unity spectral filter splits the input into bands that are forecast by per-band linear heads and, unlike low-pass-truncation approaches, the high-frequency band is retained and modeled. FreqLite is the best lightweight model on the standard long-term forecasting benchmarks and, at long lookback (L=336), attains a lower average error than a PatchTST Transformer (0.3244 vs. 0.3587 MSE) while using 4x fewer parameters, 2.2x less memory, and 2.2x less time per epoch on a single 4 GB laptop GPU; although modest in magnitude, its improvements are statistically significant under paired Wilcoxon tests across all matched cells (p < 1e-5). We further introduce Adaptive Reversible Instance Normalization (A-RevIN), a regime-adaptive reversible normalization that strictly generalizes RevIN (recovered exactly when its gate is closed), engages under non-stationarity, and reduces to RevIN without harm on stationary data. We validate this on both a real strongly non-stationary dataset (ILI, up to ~5% MSE reduction) and a controlled synthetic drift sweep in which A-RevIN's benefit and its learned gate both rise monotonically with injected non-stationarity. Every component is independently ablatable (Linear and RLinear are special cases of FreqLite), and all results are reproducible on commodity hardware.

  • 2 authors
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May 30

Preliminary sonification of ENSO using traditional Javanese gamelan scales

Sonification -- the mapping of data to non-speech audio -- offers an underexplored channel for representing complex dynamical systems. We treat El Niño-Southern Oscillation (ENSO), a canonical example of low-dimensional climate chaos, as a test case for culturally-situated sonification evaluated through complex systems diagnostics. Using parameter-mapping sonification of the Niño 3.4 sea surface temperature anomaly index (1870--2024), we encode ENSO variability into two traditional Javanese gamelan pentatonic systems (pelog and slendro) across four composition strategies, then analyze the resulting audio as trajectories in a two-dimensional acoustic phase space. Recurrence-based diagnostics, convex hull geometry, and coupling analysis reveal that the sonification pipeline preserves key dynamical signatures: alternating modes produce the highest trajectory recurrence rates, echoing ENSO's quasi-periodicity; layered polyphonic modes explore the broadest phase space regions; and the two scale families induce qualitatively distinct coupling regimes between spectral brightness and energy -- predominantly anti-phase in pelog but near-independent in slendro. Phase space trajectory analysis provides a rigorous geometric framework for comparing sonification designs within a complex systems context. Perceptual validation remains necessary; we contribute the dynamical systems methodology for evaluating such mappings.

Interpretable MEG Decoding of Perceived Speech: Cortical Sources and the Stimulus Features That Drive Retrieval

Short segments of perceived speech can be retrieved from non-invasive magnetoencephalographic (MEG) recordings by deep networks trained with a CLIP-style objective against wav2vec 2.0 audio embeddings. Yet their weights do not map onto electrophysiological quantities, and it remains unclear which speech properties drive retrieval. We build on a high-performing MEG-to-audio retrieval architecture but redesign both its front end and decoder. Its spatial attention operates on a flattened sensor layout; we replace it with spherical harmonics defined on the three-dimensional MEG helmet geometry. We reduce the subject-specific representation from 270 to 25 branches, add a temporal filter to each branch to match it to a neuronal source in space and time, and make the convolutional decoder shallower. Ocular and cardiac components are removed before training to reduce the risk of stimulus-locked shortcuts. On MEG-MASC, the model reaches 39.75 +/- 0.34% Top-1 accuracy among 1005 candidates across six trained solutions, with about 20 times fewer decoder parameters. Its weights map to source space, recovering generators consistent with the speech-perception network, while left-lateralized branches carry higher-frequency rhythmic components not evident on the right. Paired MEG occlusion shows that 15 of 19 stimulus features contribute, with the largest effects for silence, sound intensity, vowels, and acoustic onsets. Random word lists behave oppositely: substituting narrative MEG into them improves retrieval, indicating that activity without narrative structure carries less recoverable information than activity during coherent speech. The wav2vec target can be reduced to about twelve learned feature dimensions without loss of accuracy, whereas strong temporal compression causes a clear loss. Together, source mapping and input interventions reveal what drives retrieval.

  • 5 authors
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Aug 1 3

Correcting Neural Operator Spectral Bias via Diffusion Posterior Sampling with Sparse Observations

Neural operator surrogates (NO) approximate PDE solutions orders of magnitude faster than numerical solvers, but suffer from spectral bias: high-frequency content is systematically attenuated, limiting reliability where fine-scale structure matters. Sparse sensor measurements of the field are often available too, offering pointwise accuracy without spectral distortion but covering only a small fraction of the domain. We address this by treating NO predictions as auxiliary observations in a diffusion posterior sampling framework. Our method, FreqNO-DPS (https://github.com/niccoloperrone/FreqNO-DPS), combines an unconditional score-based diffusion prior, trained on high-fidelity simulations, with diffusion posterior sampling (DPS) conditioned on sparse observations and guided by a frozen neural operator. Naive integration reintroduces the surrogate's spectral bias; we resolve this with a closed-form, spectrally shaped guidance score that weights the surrogate by its frequency-dependent accuracy and needs no denoiser backpropagation. A distribution-free analysis bounds the approximation error across the frequency-diffusion-time plane and shows the guidance's frequency dependence is preserved regardless of distributional assumptions. On 3D elastic wavefield prediction at 5% and 2% sensor coverage, the method reaches near-zero spectral bias across all bands, where both the surrogate and sensor-only DPS show systematic high-frequency attenuation. Isotropic guidance, the natural baseline, improves pointwise accuracy but carries the bias into the posterior nearly intact, confirming that frequency-dependent calibration is essential, not merely beneficial. The framework needs only paired surrogate/reference data and exploits no problem-specific structure beyond the residual's approximate spectral diagonality, verifiable for new surrogates via the coherence diagnostic we provide.

  • 4 authors
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Jun 1

Imitating Language via Scalable Inverse Reinforcement Learning

The majority of language model training builds on imitation learning. It covers pretraining, supervised fine-tuning, and affects the starting conditions for reinforcement learning from human feedback (RLHF). The simplicity and scalability of maximum likelihood estimation (MLE) for next token prediction led to its role as predominant paradigm. However, the broader field of imitation learning can more effectively utilize the sequential structure underlying autoregressive generation. We focus on investigating the inverse reinforcement learning (IRL) perspective to imitation, extracting rewards and directly optimizing sequences instead of individual token likelihoods and evaluate its benefits for fine-tuning large language models. We provide a new angle, reformulating inverse soft-Q-learning as a temporal difference regularized extension of MLE. This creates a principled connection between MLE and IRL and allows trading off added complexity with increased performance and diversity of generations in the supervised fine-tuning (SFT) setting. We find clear advantages for IRL-based imitation, in particular for retaining diversity while maximizing task performance, rendering IRL a strong alternative on fixed SFT datasets even without online data generation. Our analysis of IRL-extracted reward functions further indicates benefits for more robust reward functions via tighter integration of supervised and preference-based LLM post-training.

  • 16 authors
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Sep 2, 2024

PeriodWave: Multi-Period Flow Matching for High-Fidelity Waveform Generation

Recently, universal waveform generation tasks have been investigated conditioned on various out-of-distribution scenarios. Although GAN-based methods have shown their strength in fast waveform generation, they are vulnerable to train-inference mismatch scenarios such as two-stage text-to-speech. Meanwhile, diffusion-based models have shown their powerful generative performance in other domains; however, they stay out of the limelight due to slow inference speed in waveform generation tasks. Above all, there is no generator architecture that can explicitly disentangle the natural periodic features of high-resolution waveform signals. In this paper, we propose PeriodWave, a novel universal waveform generation model. First, we introduce a period-aware flow matching estimator that can capture the periodic features of the waveform signal when estimating the vector fields. Additionally, we utilize a multi-period estimator that avoids overlaps to capture different periodic features of waveform signals. Although increasing the number of periods can improve the performance significantly, this requires more computational costs. To reduce this issue, we also propose a single period-conditional universal estimator that can feed-forward parallel by period-wise batch inference. Additionally, we utilize discrete wavelet transform to losslessly disentangle the frequency information of waveform signals for high-frequency modeling, and introduce FreeU to reduce the high-frequency noise for waveform generation. The experimental results demonstrated that our model outperforms the previous models both in Mel-spectrogram reconstruction and text-to-speech tasks. All source code will be available at https://github.com/sh-lee-prml/PeriodWave.

  • 3 authors
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Aug 14, 2024 3

EDICT: Exact Diffusion Inversion via Coupled Transformations

Finding an initial noise vector that produces an input image when fed into the diffusion process (known as inversion) is an important problem in denoising diffusion models (DDMs), with applications for real image editing. The state-of-the-art approach for real image editing with inversion uses denoising diffusion implicit models (DDIMs) to deterministically noise the image to the intermediate state along the path that the denoising would follow given the original conditioning. However, DDIM inversion for real images is unstable as it relies on local linearization assumptions, which result in the propagation of errors, leading to incorrect image reconstruction and loss of content. To alleviate these problems, we propose Exact Diffusion Inversion via Coupled Transformations (EDICT), an inversion method that draws inspiration from affine coupling layers. EDICT enables mathematically exact inversion of real and model-generated images by maintaining two coupled noise vectors which are used to invert each other in an alternating fashion. Using Stable Diffusion, a state-of-the-art latent diffusion model, we demonstrate that EDICT successfully reconstructs real images with high fidelity. On complex image datasets like MS-COCO, EDICT reconstruction significantly outperforms DDIM, improving the mean square error of reconstruction by a factor of two. Using noise vectors inverted from real images, EDICT enables a wide range of image edits--from local and global semantic edits to image stylization--while maintaining fidelity to the original image structure. EDICT requires no model training/finetuning, prompt tuning, or extra data and can be combined with any pretrained DDM. Code is available at https://github.com/salesforce/EDICT.

  • 3 authors
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Nov 22, 2022

Re-Thinking Inverse Graphics With Large Language Models

Inverse graphics -- the task of inverting an image into physical variables that, when rendered, enable reproduction of the observed scene -- is a fundamental challenge in computer vision and graphics. Disentangling an image into its constituent elements, such as the shape, color, and material properties of the objects of the 3D scene that produced it, requires a comprehensive understanding of the environment. This requirement limits the ability of existing carefully engineered approaches to generalize across domains. Inspired by the zero-shot ability of large language models (LLMs) to generalize to novel contexts, we investigate the possibility of leveraging the broad world knowledge encoded in such models in solving inverse-graphics problems. To this end, we propose the Inverse-Graphics Large Language Model (IG-LLM), an inverse-graphics framework centered around an LLM, that autoregressively decodes a visual embedding into a structured, compositional 3D-scene representation. We incorporate a frozen pre-trained visual encoder and a continuous numeric head to enable end-to-end training. Through our investigation, we demonstrate the potential of LLMs to facilitate inverse graphics through next-token prediction, without the use of image-space supervision. Our analysis opens up new possibilities for precise spatial reasoning about images that exploit the visual knowledge of LLMs. We will release our code and data to ensure the reproducibility of our investigation and to facilitate future research at https://ig-llm.is.tue.mpg.de/

  • 5 authors
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Apr 23, 2024

Spectral Bottleneck in Deep Neural Networks: Noise is All You Need

Deep neural networks are known to exhibit a spectral learning bias, wherein low-frequency components are learned early in training, while high-frequency modes emerge more gradually in later epochs. However, when the target signal lacks low-frequency components and is dominated by broadband high frequencies, training suffers from a 'spectral bottleneck', and the model fails to reconstruct the entire signal, including the frequency components that lie within the network's representational capacity. We examine such a scenario in the context of implicit neural representations (INRs) with sinusoidal representation networks (SIRENs), focusing on the challenge of fitting high-frequency-dominant signals that are susceptible to spectral bottleneck. To effectively fit any target signal irrespective of it's frequency content, we propose a generalized target-aware 'weight perturbation scheme' (WINNER - weight initialization with noise for neural representations) for network initialization. The scheme perturbs uniformly initialized weights with Gaussian noise, where the noise scales are adaptively determined by the spectral centroid of the target signal. We show that the noise scales can provide control over the spectra of network activations and the eigenbasis of the empirical neural tangent kernel. This method not only addresses the spectral bottleneck but also yields faster convergence and with improved representation accuracy, outperforming state-of-the-art approaches in audio fitting and achieving notable gains in image fitting and denoising tasks. Beyond signal reconstruction, our approach opens new directions for adaptive weight initialization strategies in computer vision and scientific machine learning.

  • 5 authors
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Sep 9, 2025

Generative Inverse Design of Metamaterials with Functional Responses by Interpretable Learning

Metamaterials with functional responses can exhibit varying properties under different conditions (e.g., wave-based responses or deformation-induced property variation). This work addresses the rapid inverse design of such metamaterials to meet target qualitative functional behaviors, a challenge due to its intractability and non-unique solutions. Unlike data-intensive and non-interpretable deep-learning-based methods, we propose the Random-forest-based Interpretable Generative Inverse Design (RIGID), a single-shot inverse design method for fast generation of metamaterial designs with on-demand functional behaviors. RIGID leverages the interpretability of a random forest-based "designrightarrowresponse" forward model, eliminating the need for a more complex "responserightarrowdesign" inverse model. Based on the likelihood of target satisfaction derived from the trained random forest, one can sample a desired number of design solutions using Markov chain Monte Carlo methods. We validate RIGID on acoustic and optical metamaterial design problems, each with fewer than 250 training samples. Compared to the genetic algorithm-based design generation approach, RIGID generates satisfactory solutions that cover a broader range of the design space, allowing for better consideration of additional figures of merit beyond target satisfaction. This work offers a new perspective on solving on-demand inverse design problems, showcasing the potential for incorporating interpretable machine learning into generative design under small data constraints.

  • 5 authors
·
Dec 7, 2023

Parallel Complex Diffusion for Scalable Time Series Generation

Modeling long-range dependencies in time series generation poses a fundamental trade-off between representational capacity and computational efficiency. Traditional temporal diffusion models suffer from local entanglement and the O(L^2) cost of attention mechanisms. We address these limitations by introducing PaCoDi (Parallel Complex Diffusion), a spectral-native architecture that decouples generative modeling in the frequency domain. PaCoDi fundamentally alters the problem topology: the Fourier Transform acts as a diagonalizing operator, converting locally coupled temporal signals into globally decorrelated spectral components. Theoretically, we prove the Quadrature Forward Diffusion and Conditional Reverse Factorization theorem, demonstrating that the complex diffusion process can be split into independent real and imaginary branches. We bridge the gap between this decoupled theory and data reality using a Mean Field Theory (MFT) approximation reinforced by an interactive correction mechanism. Furthermore, we generalize this discrete DDPM to continuous-time Frequency SDEs, rigorously deriving the Spectral Wiener Process describe the differential spectral Brownian motion limit. Crucially, PaCoDi exploits the Hermitian Symmetry of real-valued signals to compress the sequence length by half, achieving a 50% reduction in attention FLOPs without information loss. We further derive a rigorous Heteroscedastic Loss to handle the non-isotropic noise distribution on the compressed manifold. Extensive experiments show that PaCoDi outperforms existing baselines in both generation quality and inference speed, offering a theoretically grounded and computationally efficient solution for time series modeling.

  • 7 authors
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Feb 9

RECALL: Library-Like Behavior In Language Models is Enhanced by Self-Referencing Causal Cycles

We introduce the concept of the self-referencing causal cycle (abbreviated RECALL) - a mechanism that enables large language models (LLMs) to bypass the limitations of unidirectional causality, which underlies a phenomenon known as the reversal curse. When an LLM is prompted with sequential data, it often fails to recall preceding context. For example, when we ask an LLM to recall the line preceding "O say does that star-spangled banner yet wave" in the U.S. National Anthem, it often fails to correctly return "Gave proof through the night that our flag was still there" - this is due to the reversal curse. It occurs because language models such as ChatGPT and Llama generate text based on preceding tokens, requiring facts to be learned and reproduced in a consistent token order. While the reversal curse is often viewed as a limitation, we offer evidence of an alternative view: it is not always an obstacle in practice. We find that RECALL is driven by what we designate as cycle tokens - sequences that connect different parts of the training data, enabling recall of preceding tokens from succeeding ones. Through rigorous probabilistic formalization and controlled experiments, we demonstrate how the cycles they induce influence a model's ability to reproduce information. To facilitate reproducibility, we provide our code and experimental details at https://anonymous.4open.science/r/remember-B0B8/.

  • 9 authors
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Jan 22, 2025

Benign Oscillation of Stochastic Gradient Descent with Large Learning Rates

In this work, we theoretically investigate the generalization properties of neural networks (NN) trained by stochastic gradient descent (SGD) algorithm with large learning rates. Under such a training regime, our finding is that, the oscillation of the NN weights caused by the large learning rate SGD training turns out to be beneficial to the generalization of the NN, which potentially improves over the same NN trained by SGD with small learning rates that converges more smoothly. In view of this finding, we call such a phenomenon "benign oscillation". Our theory towards demystifying such a phenomenon builds upon the feature learning perspective of deep learning. Specifically, we consider a feature-noise data generation model that consists of (i) weak features which have a small ell_2-norm and appear in each data point; (ii) strong features which have a larger ell_2-norm but only appear in a certain fraction of all data points; and (iii) noise. We prove that NNs trained by oscillating SGD with a large learning rate can effectively learn the weak features in the presence of those strong features. In contrast, NNs trained by SGD with a small learning rate can only learn the strong features but makes little progress in learning the weak features. Consequently, when it comes to the new testing data which consist of only weak features, the NN trained by oscillating SGD with a large learning rate could still make correct predictions consistently, while the NN trained by small learning rate SGD fails. Our theory sheds light on how large learning rate training benefits the generalization of NNs. Experimental results demonstrate our finding on "benign oscillation".

  • 4 authors
·
Oct 25, 2023

Model-agnostic search for the quasinormal modes of gravitational wave echoes

Post-merger gravitational wave echoes provide a unique opportunity to probe the near-horizon structure of astrophysical black holes, that may be modified due to non-perturbative quantum gravity phenomena. However, since the waveform is subject to large theoretical uncertainties, it is necessary to develop model-agnostic search methods for detecting echoes from observational data. A promising strategy is to identify the characteristic quasinormal modes (QNMs) associated with echoes, {\it in frequency space}, which complements existing searches of quasiperiodic pulses in time. In this study, we build upon our previous work targeting these modes by incorporating relative phase information to optimize the Bayesian search algorithm. Using a new phase-marginalized likelihood, the performance can be significantly improved for well-resolved QNMs. This enables an efficient model-agnostic search for QNMs of different shapes by using a simple search template. To demonstrate the robustness of the search algorithm, we construct four complementary benchmarks for the echo waveform that span a diverse range of different theoretical possibilities for the near-horizon structure. We then validate our Bayesian search algorithms by injecting the benchmark models into different realizations of Gaussian noise. Using two types of phase-marginalized likelihoods, we find that the search algorithm can efficiently detect the corresponding QNMs. Therefore, our search strategy provides a concrete Bayesian and model-agnostic approach to "quantum black hole seismology".

  • 4 authors
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Aug 2, 2023

Does Bielik Know What It Doesn't Know? Activation Dispersion Separates Entity Familiarity from Factual Reliability Across Model Scale

Large language models hallucinate most about entities they have never seen. We ask whether a model's activations betray entity familiarity before a single answer token is generated, and whether that signal predicts the factual reliability of the answers. On four Polish Bielik models (1.5B-11B parameters), we probe four entity domains (athletes, cities, writers, musicians), each with 42 well-known, 42 obscure-but-real, and 42 fabricated entities addressed by a one-sentence question (504 prompts per model). Two unsupervised, single-forward-pass dispersion measures over post-SwiGLU MLP activations, inverse participation ratio and spectral entropy, separate known from fabricated entities at AUROC 0.95-1.00 across all domains and scales; a supervised linear probe reaches 0.99-1.00. Both clear selection-aware permutation floors of about 0.70-0.74 (empirical p<=1e-3), survive held-out layer selection (0.93-0.99), and persist on real names (known vs. obscure-but-real: 0.96-1.00). The signal transfers across entity types (mean off-diagonal AUROC 0.92-0.99); a matched-template counterfactual shows the only large drops are template-caused, not entity-type effects, and the signal is diffuse across heads. This representational signal is already at ceiling at 1.5B, whereas behavioral factual reliability scales sharply: 0, 2, 10, and 19 of 42 known athletes are answered fully correctly by the 1.5B, 4.5B, 7B, and 11B models under a strict judge. Within known entities, separating correct from hallucinated answers is much harder (probe 0.93; dispersion no better than a first-token-entropy baseline). A five-sample semantic-entropy baseline reaches only 0.71-0.83 at 5x the inference cost. Despite this internal awareness, the models almost never abstain: an audit of 2,520 answers finds 2 refusals and 1 hedge. Entity familiarity and factual reliability are distinct phenomena on different scaling curves.

  • 1 authors
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Jul 7

Speech Enhancement and Dereverberation with Diffusion-based Generative Models

In this work, we build upon our previous publication and use diffusion-based generative models for speech enhancement. We present a detailed overview of the diffusion process that is based on a stochastic differential equation and delve into an extensive theoretical examination of its implications. Opposed to usual conditional generation tasks, we do not start the reverse process from pure Gaussian noise but from a mixture of noisy speech and Gaussian noise. This matches our forward process which moves from clean speech to noisy speech by including a drift term. We show that this procedure enables using only 30 diffusion steps to generate high-quality clean speech estimates. By adapting the network architecture, we are able to significantly improve the speech enhancement performance, indicating that the network, rather than the formalism, was the main limitation of our original approach. In an extensive cross-dataset evaluation, we show that the improved method can compete with recent discriminative models and achieves better generalization when evaluating on a different corpus than used for training. We complement the results with an instrumental evaluation using real-world noisy recordings and a listening experiment, in which our proposed method is rated best. Examining different sampler configurations for solving the reverse process allows us to balance the performance and computational speed of the proposed method. Moreover, we show that the proposed method is also suitable for dereverberation and thus not limited to additive background noise removal. Code and audio examples are available online, see https://github.com/sp-uhh/sgmse

  • 5 authors
·
Aug 11, 2022

Quantifying the Sensitivity of Inverse Reinforcement Learning to Misspecification

Inverse reinforcement learning (IRL) aims to infer an agent's preferences (represented as a reward function R) from their behaviour (represented as a policy pi). To do this, we need a behavioural model of how pi relates to R. In the current literature, the most common behavioural models are optimality, Boltzmann-rationality, and causal entropy maximisation. However, the true relationship between a human's preferences and their behaviour is much more complex than any of these behavioural models. This means that the behavioural models are misspecified, which raises the concern that they may lead to systematic errors if applied to real data. In this paper, we analyse how sensitive the IRL problem is to misspecification of the behavioural model. Specifically, we provide necessary and sufficient conditions that completely characterise how the observed data may differ from the assumed behavioural model without incurring an error above a given threshold. In addition to this, we also characterise the conditions under which a behavioural model is robust to small perturbations of the observed policy, and we analyse how robust many behavioural models are to misspecification of their parameter values (such as e.g.\ the discount rate). Our analysis suggests that the IRL problem is highly sensitive to misspecification, in the sense that very mild misspecification can lead to very large errors in the inferred reward function.

  • 2 authors
·
Mar 11, 2024