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Oct 26

Inference-Time Alignment of Diffusion Models via Trust-Region Iterative Twisted Sequential Monte Carlo

We study inference-time alignment for diffusion-based generative models, aiming to steer a base model toward high-reward outputs without updating its weights. Recent Sequential Monte Carlo (SMC)-based steering methods approximate reward-tilted target distributions in a principled way, but their proposals remain largely tied to the base sampler. Since reward information is mainly used after propagation through particle reweighting and resampling, these methods can require large particle budgets and suffer from weight degeneracy and high-variance estimates. One way to reduce variance and improve particle efficiency is to iteratively learn twisting functions that provide look-ahead guidance, as in twisted SMC. However, existing learnable twisting methods are developed mainly for classical sequential inference and can be unstable when applied to diffusion-based alignment with high-dimensional state spaces and terminal, noisy, or black-box rewards. We propose Trust-Region Iterative Twisted Sequential Monte Carlo (TRI-TSMC), a trust-region framework for learning twisting functions in SMC-based inference-time alignment. Each iteration computes an exact KL-constrained update in path space, which admits a closed-form solution by tempered importance reweighting, and projects this target back to the parameterized twisted family by weighted maximum likelihood. Theoretically, we formalize the value-function interpretation of the optimal twisting function and show that it yields a zero-variance sampler. We prove that the trust-region update follows an escort path toward the target distribution, that the weighted maximum-likelihood update is a forward-KL projection, and that the path reduces residual importance-weight variance. Empirically, TRI-TSMC improves primary alignment objectives on discrete diffusion text generation and text-to-image generation under matched inference-time budgets.

  • 4 authors
·
May 23

Model Rubik's Cube: Twisting Resolution, Depth and Width for TinyNets

To obtain excellent deep neural architectures, a series of techniques are carefully designed in EfficientNets. The giant formula for simultaneously enlarging the resolution, depth and width provides us a Rubik's cube for neural networks. So that we can find networks with high efficiency and excellent performance by twisting the three dimensions. This paper aims to explore the twisting rules for obtaining deep neural networks with minimum model sizes and computational costs. Different from the network enlarging, we observe that resolution and depth are more important than width for tiny networks. Therefore, the original method, i.e., the compound scaling in EfficientNet is no longer suitable. To this end, we summarize a tiny formula for downsizing neural architectures through a series of smaller models derived from the EfficientNet-B0 with the FLOPs constraint. Experimental results on the ImageNet benchmark illustrate that our TinyNet performs much better than the smaller version of EfficientNets using the inversed giant formula. For instance, our TinyNet-E achieves a 59.9% Top-1 accuracy with only 24M FLOPs, which is about 1.9% higher than that of the previous best MobileNetV3 with similar computational cost. Code will be available at https://github.com/huawei-noah/ghostnet/tree/master/tinynet_pytorch, and https://gitee.com/mindspore/mindspore/tree/master/model_zoo/research/cv/tinynet.

  • 6 authors
·
Oct 28, 2020

Learning Hierarchical Polynomials with Three-Layer Neural Networks

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

  • 3 authors
·
Nov 22, 2023

2D Theoretically Twistable Material Database

The study of twisted two-dimensional (2D) materials, where twisting layers create moiré superlattices, has opened new opportunities for investigating topological phases and strongly correlated physics. While systems such as twisted bilayer graphene (TBG) and twisted transition metal dichalcogenides (TMDs) have been extensively studied, the broader potential of a seemingly infinite set of other twistable 2D materials remains largely unexplored. In this paper, we define "theoretically twistable materials" as single- or multi-layer structures that allow for the construction of simple continuum models of their moiré structures. This excludes, for example, materials with a "spaghetti" of bands or those with numerous crossing points at the Fermi level, for which theoretical moiré modeling is unfeasible. We present a high-throughput algorithm that systematically searches for theoretically twistable semimetals and insulators based on the Topological 2D Materials Database. By analyzing key electronic properties, we identify thousands of new candidate materials that could host rich topological and strongly correlated phenomena when twisted. We propose representative twistable materials for realizing different types of moiré systems, including materials with different Bravais lattices, valleys, and strength of spin-orbital coupling. We provide examples of crystal growth for several of these materials and showcase twisted bilayer band structures along with simplified twisted continuum models. Our results significantly broaden the scope of moiré heterostructures and provide a valuable resource for future experimental and theoretical studies on novel moiré systems.

  • 25 authors
·
Nov 14, 2024

Tessellations and Speiser graphs arising from meromorphic functions on simply connected Riemann surfaces

Motivated by W. P. Thurston, we ask: What is the shape of a meromorphic function on a simply connected Riemann surface Ω_z? We consider Speiser functions, i.e. meromorphic functions on a simply connected Riemann surface, that have a finite number q at least 2 of singular (critical or asymptotic) values. As a first result, we make precise the correspondence between: Speiser functions w(z), Speiser Riemann surfaces R_w(z), Speiser q-tessellation, and analytic Speiser graphs of index q. As the second main result, we characterize tessellations with alternating colors (equivalently abstract pre-Speiser graphs) that are realized by Speiser functions on Ω_z. The characterization is in terms of the q-regular extension problem of bipartite planar graphs. As third main results, the Speiser Riemann surface R_w(z) can be constructed by isometric glueing of a finite number of types of sheets, where each sheet is a maximal domain of single-valuedness of the inverse of w(z). Furthermore, a unique decomposition of R_w(z) into maximal logarithmic towers and a soul is provided. Using vector fields we recognize that logarithmic towers come in two flavors: exponential or h-tangent blocks, directly related to the exponential or the hyperbolic tangent functions on the upper half plane. The surface R_w(z) of a finite Speiser function is characterized by surgery of a rational block and a finite number of exponential or h-tangent blocks.

  • 2 authors
·
Jan 30

AnyLoss: Transforming Classification Metrics into Loss Functions

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

  • 3 authors
·
May 23, 2024

Evolving Normalization-Activation Layers

Normalization layers and activation functions are fundamental components in deep networks and typically co-locate with each other. Here we propose to design them using an automated approach. Instead of designing them separately, we unify them into a single tensor-to-tensor computation graph, and evolve its structure starting from basic mathematical functions. Examples of such mathematical functions are addition, multiplication and statistical moments. The use of low-level mathematical functions, in contrast to the use of high-level modules in mainstream NAS, leads to a highly sparse and large search space which can be challenging for search methods. To address the challenge, we develop efficient rejection protocols to quickly filter out candidate layers that do not work well. We also use multi-objective evolution to optimize each layer's performance across many architectures to prevent overfitting. Our method leads to the discovery of EvoNorms, a set of new normalization-activation layers with novel, and sometimes surprising structures that go beyond existing design patterns. For example, some EvoNorms do not assume that normalization and activation functions must be applied sequentially, nor need to center the feature maps, nor require explicit activation functions. Our experiments show that EvoNorms work well on image classification models including ResNets, MobileNets and EfficientNets but also transfer well to Mask R-CNN with FPN/SpineNet for instance segmentation and to BigGAN for image synthesis, outperforming BatchNorm and GroupNorm based layers in many cases.

  • 4 authors
·
Apr 6, 2020

Curl Descent: Non-Gradient Learning Dynamics with Sign-Diverse Plasticity

Gradient-based algorithms are a cornerstone of artificial neural network training, yet it remains unclear whether biological neural networks use similar gradient-based strategies during learning. Experiments often discover a diversity of synaptic plasticity rules, but whether these amount to an approximation to gradient descent is unclear. Here we investigate a previously overlooked possibility: that learning dynamics may include fundamentally non-gradient "curl"-like components while still being able to effectively optimize a loss function. Curl terms naturally emerge in networks with inhibitory-excitatory connectivity or Hebbian/anti-Hebbian plasticity, resulting in learning dynamics that cannot be framed as gradient descent on any objective. To investigate the impact of these curl terms, we analyze feedforward networks within an analytically tractable student-teacher framework, systematically introducing non-gradient dynamics through neurons exhibiting rule-flipped plasticity. Small curl terms preserve the stability of the original solution manifold, resulting in learning dynamics similar to gradient descent. Beyond a critical value, strong curl terms destabilize the solution manifold. Depending on the network architecture, this loss of stability can lead to chaotic learning dynamics that destroy performance. In other cases, the curl terms can counterintuitively speed learning compared to gradient descent by allowing the weight dynamics to escape saddles by temporarily ascending the loss. Our results identify specific architectures capable of supporting robust learning via diverse learning rules, providing an important counterpoint to normative theories of gradient-based learning in neural networks.

  • 3 authors
·
Oct 3, 2025

Distinguishability and linear independence for H-chromatic symmetric functions

We study the H-chromatic symmetric functions X_G^H (introduced in (arXiv:2011.06063) as a generalization of the chromatic symmetric function (CSF) X_G), which track homomorphisms from the graph G to the graph H. We focus first on the case of self-chromatic symmetric functions (self-CSFs) X_G^G, making some progress toward a conjecture from (arXiv:2011.06063) that the self-CSF, like the normal CSF, is always different for different trees. In particular, we show that the self-CSF distinguishes trees from non-trees with just one exception, we check using Sage that it distinguishes all trees on up to 12 vertices, and we show that it determines the number of legs of a spider and the degree sequence of a caterpillar given its spine length. We also show that the self-CSF detects the number of connected components of a forest, again with just one exception. Then we prove some results about the power sum expansions for H-CSFs when H is a complete bipartite graph, in particular proving that the conjecture from (arXiv:2011.06063) about p-monotonicity of ω(X_G^H) for H a star holds as long as H is sufficiently large compared to G. We also show that the self-CSFs of complete multipartite graphs form a basis for the ring Λ of symmetric functions, and we give some construction of bases for the vector space Λ^n of degree n symmetric functions using H-CSFs X_G^H where H is a fixed graph that is not a complete graph, answering a question from (arXiv:2011.06063) about whether such bases exist. However, we show that there generally do not exist such bases with G fixed, even with loops, answering another question from (arXiv:2011.06063). We also define the H-chromatic polynomial as an analogue of the chromatic polynomial, and ask when it is the same for different graphs.

  • 2 authors
·
Nov 11, 2025

A structure theorem for streamed information

We identify the free half shuffle algebra of Schützenberger (1958) with an algebra of real-valued functionals on paths, where the half shuffle emulates integration of a functional against another. We then provide two, to our knowledge, new identities in arity 3 involving its commutator (area), and show that these are sufficient to recover the Zinbiel and Tortkara identities of Dzhumadil'daev (2007). We use these identities to prove that any element of the free half shuffle algebra can be expressed as a polynomial over iterated areas. Moreover, we consider minimal sets of iterated integrals defined through the recursive application of the half shuffle on Hall trees. Leveraging the duality between this set of Hall integrals and classical Hall bases of the free Lie algebra, we prove using combinatorial arguments that any element of the free half shuffle algebra can be written uniquely as a polynomial over Hall integrals. We interpret this result as a structure theorem for streamed information, loosely analogous to the unique prime factorisation of integers, allowing to split any real valued function on streamed data into two parts: a first that extracts and packages the streamed information into recursively defined atomic objects (Hall integrals), and a second that evaluates a polynomial function in these objects without further reference to the original stream. The question of whether a similar result holds if Hall integrals are replaced by Hall areas is left as an open conjecture. Finally, we construct a canonical, but to our knowledge, new decomposition of the free half shuffle algebra as shuffle power series in the greatest letter of the original alphabet with coefficients in a sub-algebra freely generated by a new alphabet with an infinite number of letters. We use this construction to provide a second proof of our structure theorem.

  • 5 authors
·
Jul 29, 2023

Noether's Learning Dynamics: Role of Symmetry Breaking in Neural Networks

In nature, symmetry governs regularities, while symmetry breaking brings texture. In artificial neural networks, symmetry has been a central design principle to efficiently capture regularities in the world, but the role of symmetry breaking is not well understood. Here, we develop a theoretical framework to study the "geometry of learning dynamics" in neural networks, and reveal a key mechanism of explicit symmetry breaking behind the efficiency and stability of modern neural networks. To build this understanding, we model the discrete learning dynamics of gradient descent using a continuous-time Lagrangian formulation, in which the learning rule corresponds to the kinetic energy and the loss function corresponds to the potential energy. Then, we identify "kinetic symmetry breaking" (KSB), the condition when the kinetic energy explicitly breaks the symmetry of the potential function. We generalize Noether's theorem known in physics to take into account KSB and derive the resulting motion of the Noether charge: "Noether's Learning Dynamics" (NLD). Finally, we apply NLD to neural networks with normalization layers and reveal how KSB introduces a mechanism of "implicit adaptive optimization", establishing an analogy between learning dynamics induced by normalization layers and RMSProp. Overall, through the lens of Lagrangian mechanics, we have established a theoretical foundation to discover geometric design principles for the learning dynamics of neural networks.

  • 2 authors
·
May 6, 2021