Daily Papers

In recent years, graph pre-training has gained significant attention, focusing on acquiring transferable knowledge from unlabeled graph data to improve downstream performance. Despite these recent endeavors, the problem of negative transfer remains a major concern when utilizing graph pre-trained models to downstream tasks. Previous studies made great efforts on the issue of what to pre-train and how to pre-train by designing a variety of graph pre-training and fine-tuning strategies. However, there are cases where even the most advanced "pre-train and fine-tune" paradigms fail to yield distinct benefits. This paper introduces a generic framework W2PGNN to answer the crucial question of when to pre-train (i.e., in what situations could we take advantage of graph pre-training) before performing effortful pre-training or fine-tuning. We start from a new perspective to explore the complex generative mechanisms from the pre-training data to downstream data. In particular, W2PGNN first fits the pre-training data into graphon bases, each element of graphon basis (i.e., a graphon) identifies a fundamental transferable pattern shared by a collection of pre-training graphs. All convex combinations of graphon bases give rise to a generator space, from which graphs generated form the solution space for those downstream data that can benefit from pre-training. In this manner, the feasibility of pre-training can be quantified as the generation probability of the downstream data from any generator in the generator space. W2PGNN offers three broad applications: providing the application scope of graph pre-trained models, quantifying the feasibility of pre-training, and assistance in selecting pre-training data to enhance downstream performance. We provide a theoretically sound solution for the first application and extensive empirical justifications for the latter two applications.

Denoising-based generative models, particularly diffusion and flow matching algorithms, have achieved remarkable success. However, aligning their output distributions with complex downstream objectives, such as human preferences, compositional accuracy, or data compressibility, remains challenging. While reinforcement learning (RL) fine-tuning methods, inspired by advances in RL from human feedback (RLHF) for large language models, have been adapted to these generative frameworks, current RL approaches are suboptimal for diffusion models and offer limited flexibility in controlling alignment strength after fine-tuning. In this work, we reinterpret RL fine-tuning for diffusion models through the lens of stochastic differential equations and implicit reward conditioning. We introduce Reinforcement Learning Guidance (RLG), an inference-time method that adapts Classifier-Free Guidance (CFG) by combining the outputs of the base and RL fine-tuned models via a geometric average. Our theoretical analysis shows that RLG's guidance scale is mathematically equivalent to adjusting the KL-regularization coefficient in standard RL objectives, enabling dynamic control over the alignment-quality trade-off without further training. Extensive experiments demonstrate that RLG consistently improves the performance of RL fine-tuned models across various architectures, RL algorithms, and downstream tasks, including human preferences, compositional control, compressibility, and text rendering. Furthermore, RLG supports both interpolation and extrapolation, thereby offering unprecedented flexibility in controlling generative alignment. Our approach provides a practical and theoretically sound solution for enhancing and controlling diffusion model alignment at inference. The source code for RLG is publicly available at the Github: https://github.com/jinluo12345/Reinforcement-learning-guidance.

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

Linear-time attention and State Space Models (SSMs) promise to solve the quadratic cost bottleneck in long-context language models employing softmax attention. We introduce Error-Free Linear Attention (EFLA), a numerically stable, fully parallelism and generalized formulation of the delta rule. Specifically, we formulate the online learning update as a continuous-time dynamical system and prove that its exact solution is not only attainable but also computable in linear time with full parallelism. By leveraging the rank-1 structure of the dynamics matrix, we directly derive the exact closed-form solution effectively corresponding to the infinite-order Runge-Kutta method. This attention mechanism is theoretically free from error accumulation, perfectly capturing the continuous dynamics while preserving the linear-time complexity. Through an extensive suite of experiments, we show that EFLA enables robust performance in noisy environments, achieving lower language modeling perplexity and superior downstream benchmark performance than DeltaNet without introducing additional parameters. Our work provides a new theoretical foundation for building high-fidelity, scalable linear-time attention models.

We study a discrete model for generalized exchange-driven growth in which the particle exchanged between two clusters is not limited to be of size one. This set of models include as special cases the usual exchange-driven growth system and the coagulation-fragmentation system with binary fragmentation. Under reasonable general condition on the rate coefficients we establish the existence of admissible solutions, meaning solutions that are obtained as appropriate limit of solutions to a finite-dimensional truncation of the infinite-dimensional ODE. For these solutions we prove that, in the class of models we call isolated both the total number of particles and the total mass are conserved, whereas in those models we can non-isolated only the mass is conserved. Additionally, under more restrictive growth conditions for the rate equations we obtain uniqueness of solutions to the initial value problems.

A new class of solutions describing the composition of compact stars has been proposed, assuming that the fluid distribution inside the star is anisotropic. This is achieved by assuming the appropriate metric potential and then solving Einstein's field equations using Karmarkar conditions [Karmarkar K. R., Proc. Indian Acad. Sci. 27 (1948) 56] to derive the expressions for star density, the radial and tangential pressures in terms of the constants A, B, a paramter `a' and the curvature parameter R. The equations thus obtained have been passed through rigorous conditional analysis. It is further shown that the model is physically viable and mathematically well-behaved, fulfilling the requisite conditions viz., regularity condition, strong energy condition, causality condition, etc. Observed star candidates including EXO 1785-248, SMC X-1, SAXJ1808.43658(SS2), HER X-1, 4U 1538-52, Cen X-3 and LMC X-4 were found to conform to a good approximation through the outcome of this model for a=0.5.

I propose a version of quantum mechanics featuring a discrete and finite number of states that is plausibly a model of the real world. The model is based on standard unitary quantum theory of a closed system with a finite-dimensional Hilbert space. Given certain simple conditions on the spectrum of the Hamiltonian, Schr\"odinger evolution is periodic, and it is straightforward to replace continuous time with a discrete version, with the result that the system only visits a discrete and finite set of state vectors. The biggest challenges to the viability of such a model come from cosmological considerations. The theory may have implications for questions of mathematical realism and finitism.

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

We find and analyse solutions of Einstein's equations in arbitrary d dimensions and in the presence of a scalar field with a Liouville potential coupled to a Maxwell field. We consider spacetimes of cylindrical symmetry or again subspaces of dimension d-2 with constant curvature and analyse in detail the field equations and manifest their symmetries. The field equations of the full system are shown to reduce to a single or couple of ODE's which can be used to solve analytically or numerically the theory for the symmetry at hand. Further solutions can also be generated by a solution generating technique akin to the EM duality in the absence of a cosmological constant. We then find and analyse explicit solutions including black holes and gravitating solitons for the case of four dimensional relativity and the higher-dimensional oxydised 5-dimensional spacetime. The general solution is obtained for a certain relation between couplings in the case of cylindrical symmetry.

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

The one-dimensional J_1-J_2 q-state Potts model is solved exactly for arbitrary q, based on using OpenAI's latest reasoning model o3-mini-high to exactly solve the q=3 case. The exact results provide insights to outstanding physical problems such as the stacking of atomic or electronic orders in layered materials and the formation of a T_c-dome-shaped phase often seen in unconventional superconductors. The work is anticipated to fuel both the research in one-dimensional frustrated magnets for recently discovered finite-temperature application potentials and the fast moving topic area of AI for sciences.

We discuss the numerical solution of initial value problems for varepsilon^2,varphi''+a(x),varphi=0 in the highly oscillatory regime, i.e., with a(x)>0 and 0<varepsilonll 1. We analyze and implement an approximate solution based on the well-known WKB-ansatz. The resulting approximation error is of magnitude O(varepsilon^{N}) where N refers to the truncation order of the underlying asymptotic series. When the optimal truncation order N_{opt} is chosen, the error behaves like O(varepsilon^{-2}exp(-cvarepsilon^{-1})) with some c>0.

P. Kabamba developed generation theory as a tool for studying self-reproducing systems. We provide an alternative definition of a generation system and give a complete solution to the problem of finding optimal seeds for a finite self-replicating system. We also exhibit examples illustrating a connection between self-replication and fixed-point theory.

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

In this paper, we discuss that an observable-based single-system Copenhagen and entanglement-based two-system von Neumann measurement protocols in quantum theory can be made equivalent by considering the second part of the two-system scheme to be a Dirac-type negative sea filling up the first system. Based on this equivalence, and by considering the universe as a computational process, the choice of the apparatus state in the two-system protocol can be identified with the choice of the observable in the single-system scheme as negative sea filling up the observable universe. In particular, the measuring party's state is considered to be evolving backwards in time to the big bang as a nondeterministic computational process, which chooses the acceptable path as a time-reversal process of irreversible computation. The suggested model proposes that the prepared microstate of the universe, or reality, corresponds to the observer's choice, therefore, subjective reality. Thus, this effectively provides a specific description of the subjective universe model previously proposed, which is based on the symmetry breakdown between the Schrodinger and the Heisenberg pictures of quantum theory.

Can you find an xy-equation that, when graphed, writes itself on the plane? This idea became internet-famous when a Wikipedia article on Tupper's self-referential formula went viral in 2012. Under scrutiny, the question has two flaws: it is meaningless (it depends on typography) and it is trivial (for reasons we will explain). We fix these flaws by formalizing the problem, and we give a very general solution using techniques from computability theory.

In October 2007, a Research Proposal for the University of Sydney, Australia, the author suggested that biovie-physical phenomenon as `electrodynamic dependant biological vision', is governed by relativistic quantum laws and biovision. The phenomenon on the basis of `biovielectroluminescence', satisfies man/microbio/megabio/computer vision (MMMCV), as a robust candidate for physical and visual sciences. The general aim of this addendum is to present a refined text of Sections 1-3 of that proposal and highlighting the contents of its Appendix in form of a `Mechanisms' Section. We then briefly remind in an article aimed for December 2007, by appending two more equations into Section 3, a theoretical II-time scenario as a time model well-proposed for the phenomenon. The time model within the core of the proposal, plays a significant role in emphasizing the principle points on Objectives no. 1-8, Sub-hypothesis 3.1.2, mentioned in Article [arXiv:0710.0410]. It also expresses the time concept in terms of causing quantized energy f(|E|) of time |t|, emit in regard to shortening the probability of particle loci as predictable patterns of particle's un-occurred motion, a solution to Heisenberg's uncertainty principle (HUP) into a simplistic manner. We conclude that, practical frames via a time algorithm to this model, fixates such predictable patterns of motion of scenery bodies onto recordable observation points of a MMMCV system. It even suppresses/predicts superposition phenomena coming from a human subject and/or other bio-subjects for any decision making event, e.g., brainwave quantum patterns based on vision. Maintaining the existential probability of Riemann surfaces of II-time scenarios in the context of biovielectroluminescence, makes motion-prediction a possibility.

We consider a Schr\"odinger-Poisson system involving a general nonlinearity at critical growth and we prove the existence of positive solutions. The Ambrosetti-Rabinowitz condition is not required. We also study the asymptotics of solutions with respect to a parameter.

Large language models (LLMs) have rapidly advanced and are increasingly capable of tackling complex scientific problems, including those in physics. Despite this progress, current LLMs often fail to emulate the concise, principle-based reasoning characteristic of human experts, instead generating lengthy and opaque solutions. This discrepancy highlights a crucial gap in their ability to apply core physical principles for efficient and interpretable problem solving. To systematically investigate this limitation, we introduce PhySense, a novel principle-based physics reasoning benchmark designed to be easily solvable by experts using guiding principles, yet deceptively difficult for LLMs without principle-first reasoning. Our evaluation across multiple state-of-the-art LLMs and prompt types reveals a consistent failure to align with expert-like reasoning paths, providing insights for developing AI systems with efficient, robust and interpretable principle-based scientific reasoning.

We consider fermions in a zero-temperature superconducting anti-de Sitter domain wall solution and find continuous bands of normal modes. These bands can be either partially filled or totally empty and gapped. We present a semi-classical argument which approximately captures the main features of the normal mode spectrum.

We revisit the noisy binary search model of Karp and Kleinberg, in which we have n coins with unknown probabilities p_i that we can flip. The coins are sorted by increasing p_i, and we would like to find where the probability crosses (to within varepsilon) of a target value tau. This generalized the fixed-noise model of Burnashev and Zigangirov , in which p_i = 1{2} pm varepsilon, to a setting where coins near the target may be indistinguishable from it. Karp and Kleinberg showed that Theta(1{varepsilon^2} log n) samples are necessary and sufficient for this task. We produce a practical algorithm by solving two theoretical challenges: high-probability behavior and sharp constants. We give an algorithm that succeeds with probability 1-delta from \[ 1{C_{\tau, \varepsilon}} \cdot \left(\lg n + O(\log^{2/3} n \log^{1/3} 1{\delta} + \log 1{\delta})\right) \] samples, where C_{tau, varepsilon} is the optimal such constant achievable. For delta > n^{-o(1)} this is within 1 + o(1) of optimal, and for delta ll 1 it is the first bound within constant factors of optimal.

In recent decades, a growing number of discoveries in fields of mathematics have been assisted by computer algorithms, primarily for exploring large parameter spaces that humans would take too long to investigate. As computers and algorithms become more powerful, an intriguing possibility arises - the interplay between human intuition and computer algorithms can lead to discoveries of novel mathematical concepts that would otherwise remain elusive. To realize this perspective, we have developed a massively parallel computer algorithm that discovers an unprecedented number of continued fraction formulas for fundamental mathematical constants. The sheer number of formulas discovered by the algorithm unveils a novel mathematical structure that we call the conservative matrix field. Such matrix fields (1) unify thousands of existing formulas, (2) generate infinitely many new formulas, and most importantly, (3) lead to unexpected relations between different mathematical constants, including multiple integer values of the Riemann zeta function. Conservative matrix fields also enable new mathematical proofs of irrationality. In particular, we can use them to generalize the celebrated proof by Ap\'ery for the irrationality of zeta(3). Utilizing thousands of personal computers worldwide, our computer-supported research strategy demonstrates the power of experimental mathematics, highlighting the prospects of large-scale computational approaches to tackle longstanding open problems and discover unexpected connections across diverse fields of science.

We consider the Dto 3 limit of Gauss-Bonnet gravity. We find two distinct but similar versions of the theory and obtain black hole solutions for each. For one theory the solution is an interesting generalization of the BTZ black hole that does not have constant curvature but whose thermodynamics is identical. The other theory admits a solution that is asymptotically AdS but does not approach the BTZ black hole in the limit of small Gauss-Bonnet coupling. We also discuss the distinction between our solutions and those obtained by taking a Dto 3 limit of solutions to D-dimensional Einstein Gauss-Bonnet gravity. We find that these latter metrics are not solutions of the theories we consider except for particular constraints on the parameters.

Chain-of-Thought (CoT) prompting has become the de facto method to elicit reasoning capabilities from large language models (LLMs). However, to mitigate hallucinations in CoT that are notoriously difficult to detect, current methods such as process reward models (PRMs) or self-consistency operate as opaque boxes and do not provide checkable evidence for their judgments, possibly limiting their effectiveness. To address this issue, we draw inspiration from the idea that "the gold standard for supporting a mathematical claim is to provide a proof". We propose a retrospective, step-aware formal verification framework Safe. Rather than assigning arbitrary scores, we strive to articulate mathematical claims in formal mathematical language Lean 4 at each reasoning step and provide formal proofs to identify hallucinations. We evaluate our framework Safe across multiple language models and various mathematical datasets, demonstrating a significant performance improvement while offering interpretable and verifiable evidence. We also propose FormalStep as a benchmark for step correctness theorem proving with 30,809 formal statements. To the best of our knowledge, our work represents the first endeavor to utilize formal mathematical language Lean 4 for verifying natural language content generated by LLMs, aligning with the reason why formal mathematical languages were created in the first place: to provide a robust foundation for hallucination-prone human-written proofs.

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

We present a closed formula for the asymptotic density of states for a class of solvable superstring models on curved backgrounds. The result accounts for the effects of the curvature of the target space in a concise way.

We consider a biological population whose environment varies periodically in time, exhibiting two very different "seasons" : one is favorable and the other one is unfavorable. For monotone differential models with concave nonlinearities, we address the following question: the system's period being fixed, under what conditions does there exist a critical duration for the unfavorable season? By "critical duration" we mean that above some threshold, the population cannot sustain and extincts, while below this threshold, the system converges to a unique periodic and positive solution. We term this a "sharp seasonal threshold property" (SSTP, for short). Building upon a previous result, we obtain sufficient conditions for SSTP in any dimension and apply our criterion to a two-dimensional model featuring juvenile and adult populations of insects.

We consider the obnoxious facility location problem (in which agents prefer the facility location to be far from them) and propose a hierarchy of distance-based proportional fairness concepts for the problem. These fairness axioms ensure that groups of agents at the same location are guaranteed to be a distance from the facility proportional to their group size. We consider deterministic and randomized mechanisms, and compute tight bounds on the price of proportional fairness. In the deterministic setting, we show that our proportional fairness axioms are incompatible with strategyproofness, and prove asymptotically tight epsilon-price of anarchy and stability bounds for proportionally fair welfare-optimal mechanisms. In the randomized setting, we identify proportionally fair and strategyproof mechanisms that give an expected welfare within a constant factor of the optimal welfare. Finally, we prove existence results for two extensions to our model.

We discuss why AI is hard and why physics is simple. We discuss how physical intuition and the approach of theoretical physics can be brought to bear on the field of artificial intelligence and specifically machine learning. We suggest that the underlying project of machine learning and the underlying project of physics are strongly coupled through the principle of sparsity, and we call upon theoretical physicists to work on AI as physicists. As a first step in that direction, we discuss an upcoming book on the principles of deep learning theory that attempts to realize this approach.

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

This paper provides theoretical insights into why and how deep learning can generalize well, despite its large capacity, complexity, possible algorithmic instability, nonrobustness, and sharp minima, responding to an open question in the literature. We also discuss approaches to provide non-vacuous generalization guarantees for deep learning. Based on theoretical observations, we propose new open problems and discuss the limitations of our results.

In recent years, there has been an emerging trend of combining two innovations in computer science and physics to achieve better computation capability. Exploring the potential of quantum computation to achieve highly efficient performance in various tasks is a vital development in engineering and a valuable question in sciences, as it has a significant potential to provide exponential speedups for technologically complex problems that are specifically advantageous to quantum computers. However, one key issue in unleashing this potential is constructing an efficient approach to load classical data into quantum states that can be executed by quantum computers or quantum simulators on classical hardware. Therefore, the split-step quantum walks (SSQW) algorithm was proposed to address this limitation. We facilitate SSQW to design parameterized quantum circuits (PQC) that can generate probability distributions and optimize the parameters to achieve the desired distribution using a variational solver. A practical example of implementing SSQW using Qiskit has been released as open-source software. Showing its potential as a promising method for generating desired probability amplitude distributions highlights the potential application of SSQW in option pricing through quantum simulation.

In this paper, we examine the solvability of a functional equation in a Lipschitz space. As an application, we use our result to determine the existence and uniqueness of solutions to an equation describing a specific type of choice behavior model for the learning process of the paradise fish. Finally, we present some concrete examples where, using numerical techniques, we obtain approximations to the solution of the functional equation. As the straightforward Picard's iteration can be very expensive, we show that an analytical suboptimal least-squares approximation can be chosen in practice, resulting in very good accuracy.

We identify five selected open problems in the theory of quantum information, which are rather simple to formulate, were well-studied in the literature, but are technically not easy. As these problems enjoy diverse mathematical connections, they offer a huge breakthrough potential. The first four concern existence of certain objects relevant for quantum information, namely a family of symmetric informationally complete generalized measurements in an infinite sequence of dimensions, mutually unbiased bases in dimension six, absolutely maximally entangled states for four subsystems with six levels each and bound entangled states with negative partial transpose. The fifth problem requires checking whether a certain state of a two-ququart system is 2-copy distillable. An award for solving each of them is announced.

Quantum Computing is a new and exciting field at the intersection of mathematics, computer science and physics. It concerns a utilization of quantum mechanics to improve the efficiency of computation. Here we present a gentle introduction to some of the ideas in quantum computing. The paper begins by motivating the central ideas of quantum mechanics and quantum computation with simple toy models. From there we move on to a formal presentation of the small fraction of (finite dimensional) quantum mechanics that we will need for basic quantum computation. Central notions of quantum architecture (qubits and quantum gates) are described. The paper ends with a presentation of one of the simplest quantum algorithms: Deutsch's algorithm. Our presentation demands neither advanced mathematics nor advanced physics.

In this paper I apply newly-proposed information-theoretic principles to thermodynamic work extraction. I show that if it is possible to extract work deterministically from a physical system prepared in any one of a set of states, then those states must be distinguishable from one another. This result is formulated independently of scale and of particular dynamical laws; it also provides a novel connection between thermodynamics and information theory, established via the law of conservation of energy (rather than the second law of thermodynamics). Albeit compatible with these conclusions, existing thermodynamics approaches cannot provide a result of such generality, because they are scale-dependent (relying on ensembles or coarse-graining) or tied to particular dynamical laws. This paper thus provides a broader foundation for thermodynamics, with implications for the theory of von Neumann's universal constructor

Studies have underscored how, regardless of the recent breakthrough and swift advances in AI research, even state-of-the-art Large Language models (LLMs) continue to struggle when performing logical and mathematical reasoning. The results seem to suggest that LLMs still work as (highly advanced) data pattern identifiers, scoring poorly when attempting to generalise and solve reasoning problems the models have never previously seen or that are not close to samples presented in their training data. To address this compelling concern, this paper makes use of the notion of critical questions from the literature on argumentation theory, focusing in particular on Toulmin's model of argumentation. We show that employing these critical questions can improve the reasoning capabilities of LLMs. By probing the rationale behind the models' reasoning process, the LLM can assess whether some logical mistake is occurring and correct it before providing the final reply to the user prompt. The underlying idea is drawn from the gold standard of any valid argumentative procedure: the conclusion is valid if it is entailed by accepted premises. Or, to paraphrase such Aristotelian principle in a real-world approximation, characterised by incomplete information and presumptive logic, the conclusion is valid if not proved otherwise. This approach successfully steers the models' output through a reasoning pipeline, resulting in better performance against the baseline and its Chain-of-Thought (CoT) implementation. To this end, an extensive evaluation of the proposed approach on the MT-Bench Reasoning and Math tasks across a range of LLMs is provided.

As with other commodities, markets could help us efficiently produce machine intelligence. We propose a market where intelligence is priced by other intelligence systems peer-to-peer across the internet. Peers rank each other by training neural networks which learn the value of their neighbors. Scores accumulate on a digital ledger where high ranking peers are monetarily rewarded with additional weight in the network. However, this form of peer-ranking is not resistant to collusion, which could disrupt the accuracy of the mechanism. The solution is a connectivity-based regularization which exponentially rewards trusted peers, making the system resistant to collusion of up to 50 percent of the network weight. The result is a collectively run intelligence market which continual produces newly trained models and pays contributors who create information theoretic value.

Solutions of nonlinear functional equations are generally not expressed as a finite number of combinations and compositions of elementary and known special functions. One of the approaches to study them is, firstly, to find formal solutions (that is, series whose terms are described and ordered in some way but which do not converge apriori) and, secondly, to study the convergence or summability of these formal solutions (the existence and uniqueness of actual solutions with the given asymptotic expansion in a certain domain). In this paper we deal only with the convergence of formal functional series having the form of an infinite sum of power functions with (complex, in general) power exponents and satisfying analytical functional equations of the following three types: a differential, q-difference or Mahler equation.

One might think that, once we know something is computable, how efficiently it can be computed is a practical question with little further philosophical importance. In this essay, I offer a detailed case that one would be wrong. In particular, I argue that computational complexity theory -- the field that studies the resources (such as time, space, and randomness) needed to solve computational problems -- leads to new perspectives on the nature of mathematical knowledge, the strong AI debate, computationalism, the problem of logical omniscience, Hume's problem of induction, Goodman's grue riddle, the foundations of quantum mechanics, economic rationality, closed timelike curves, and several other topics of philosophical interest. I end by discussing aspects of complexity theory itself that could benefit from philosophical analysis.

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

Formulating a quantum theory of gravity lies at the heart of fundamental theoretical physics. This collection of lecture notes encompasses a selection of topics that were covered in six mini-courses at the Nordita PhD school "Towards Quantum Gravity". The scope was to provide a coherent picture, from its foundation to forefront research, emphasizing connections between different areas. The lectures begin with perturbative quantum gravity and effective field theory. Subsequently, two ultraviolet-complete approaches are presented: asymptotically safe gravity and string theory. Finally, elements of quantum effects in black hole spacetimes are discussed.

AI video generation is undergoing a revolution, with quality and realism advancing rapidly. These advances have led to a passionate scientific debate: Do video models learn ``world models'' that discover laws of physics -- or, alternatively, are they merely sophisticated pixel predictors that achieve visual realism without understanding the physical principles of reality? We address this question by developing Physics-IQ, a comprehensive benchmark dataset that can only be solved by acquiring a deep understanding of various physical principles, like fluid dynamics, optics, solid mechanics, magnetism and thermodynamics. We find that across a range of current models (Sora, Runway, Pika, Lumiere, Stable Video Diffusion, and VideoPoet), physical understanding is severely limited, and unrelated to visual realism. At the same time, some test cases can already be successfully solved. This indicates that acquiring certain physical principles from observation alone may be possible, but significant challenges remain. While we expect rapid advances ahead, our work demonstrates that visual realism does not imply physical understanding. Our project page is at https://physics-iq.github.io; code at https://github.com/google-deepmind/physics-IQ-benchmark.

We obtain (small-parameter) well-posedness for the (space-time periodic) Phi^4 equation in the full subcritical regime in the context of regularity structures based on multi-indices. As opposed to Hairer's more extrinsic tree-based setting, due to the intrinsic description encoded by multi-indices, it is not possible to obtain a solution theory via the standard fixed-point argument. Instead, we develop a more intrinsic approach for existence using a variant of the continuity method from classical PDE theory based on a priori estimates for a new `robust' formulation of the equation. This formulation also allows us to obtain uniqueness of solutions and continuity of the solution map in the model norm even at the limit of vanishing regularisation scale. Since our proof relies on the structure of the nonlinearity in only a mild way, we expect the same ideas to be sufficient to treat a more general class of equations.

Misinformation about climate change is a complex societal issue requiring holistic, interdisciplinary solutions at the intersection between technology and psychology. One proposed solution is a "technocognitive" approach, involving the synthesis of psychological and computer science research. Psychological research has identified that interventions in response to misinformation require both fact-based (e.g., factual explanations) and technique-based (e.g., explanations of misleading techniques) content. However, little progress has been made on documenting and detecting fallacies in climate misinformation. In this study, we apply a previously developed critical thinking methodology for deconstructing climate misinformation, in order to develop a dataset mapping different types of climate misinformation to reasoning fallacies. This dataset is used to train a model to detect fallacies in climate misinformation. Our study shows F1 scores that are 2.5 to 3.5 better than previous works. The fallacies that are easiest to detect include fake experts and anecdotal arguments, while fallacies that require background knowledge, such as oversimplification, misrepresentation, and slothful induction, are relatively more difficult to detect. This research lays the groundwork for development of solutions where automatically detected climate misinformation can be countered with generative technique-based corrections.

Scalable and cost-effective solutions to renewable energy storage are essential to addressing the world's rising energy needs while reducing climate change. As we increase our reliance on renewable energy sources such as wind and solar, which produce intermittent power, storage is needed to transfer power from times of peak generation to peak demand. This may require the storage of power for hours, days, or months. One solution that offers the potential of scaling to nation-sized grids is the conversion of renewable energy to other fuels, such as hydrogen or methane. To be widely adopted, this process requires cost-effective solutions to running electrochemical reactions. An open challenge is finding low-cost electrocatalysts to drive these reactions at high rates. Through the use of quantum mechanical simulations (density functional theory), new catalyst structures can be tested and evaluated. Unfortunately, the high computational cost of these simulations limits the number of structures that may be tested. The use of machine learning may provide a method to efficiently approximate these calculations, leading to new approaches in finding effective electrocatalysts. In this paper, we provide an introduction to the challenges in finding suitable electrocatalysts, how machine learning may be applied to the problem, and the use of the Open Catalyst Project OC20 dataset for model training.

Colloids play an important role in fundamental science as well as in nature and technology. They have had a strong impact on the fundamental understanding of statistical physics. For example, colloids have helped to obtain a better understanding of collective phenomena, ranging from phase transitions and glass formation to the swarming of active Brownian particles. Yet the success of colloidal systems hinges crucially on the specific physical and chemical properties of the colloidal particles, i.e. particles with the appropriate characteristics must be available. Here we present an idea to create particles with freely selectable properties. The properties might depend, for example, on the presence of other particles (hence mimicking specific pair or many-body interactions), previous configurations (hence introducing some memory or feedback), or a directional bias (hence changing the dynamics). Without directly interfering with the sample, each particle is fully controlled and can receive external commands through a predefined algorithm that can take into account any input parameters. This is realized with computer-controlled colloids, which we term cybloids - short for cybernetic colloids. The potential of cybloids is illustrated by programming a time-delayed external potential acting on a single colloid and interaction potentials for many colloids. Both an attractive harmonic potential and an annular potential are implemented. For a single particle, this programming can cause subdiffusive behavior or lend activity. For many colloids, the programmed interaction potential allows to select a crystal structure at wish. Beyond these examples, we discuss further opportunities which cybloids offer.

Quantum computers offer a new paradigm of computing with the potential to vastly outperform any imagineable classical computer. This has caused a gold rush towards new quantum algorithms and hardware. In light of the growing expectations and hype surrounding quantum computing we ask the question which are the promising applications to realize quantum advantage. We argue that small data problems and quantum algorithms with super-quadratic speedups are essential to make quantum computers useful in practice. With these guidelines one can separate promising applications for quantum computing from those where classical solutions should be pursued. While most of the proposed quantum algorithms and applications do not achieve the necessary speedups to be considered practical, we already see a huge potential in material science and chemistry. We expect further applications to be developed based on our guidelines.

We investigate the signatures of Fermi liquid formation in the N=4 super Yang-Mills theory coupled to fundamental hypermultiplet at nonvanishing chemical potential for the global U(1) vector symmetry. At strong 't Hooft coupling the system can be analyzed in terms of the D7 brane dynamics in AdS_5 x S^5 background. The phases with vanishing and finite charge density are separated at zero temperature by a quantum phase transition. In case of vanishing hypermultiplet mass, Karch, Son and Starinets discovered a gapless excitation whose speed equals the speed of sound. We find that this zero sound mode persists to all values of the hypermultiplet mass, and its speed vanishes at the point of phase transition. The value of critical exponent and the ratio of the velocities of zero and first sounds are consistent with the predictions of Landau Fermi liquid theory at strong coupling.

All current formulations of thermodynamics invoke some form of coarse-graining or ensembles as the supposed link between their own laws and the microscopic laws of motion. They deal only with ensemble-averages, expectation values, macroscopic limits, infinite heat baths, etc., not with the details of physical variables of individual microscopic systems. They are consistent with the laws of motion for finite systems only in certain approximations, which improve with increasing scale, given various assumptions about initial conditions which are neither specified precisely nor even thought to hold exactly in nature. Here I propose a new formulation of the zeroth, first and second laws, improving upon the axiomatic approach to thermodynamics (Carath\'eodory, 1909; Lieb & Yngvason, 1999), via the principles of the recently proposed constructor theory. Specifically, I provide a non-approximative, scale-independent formulation of 'adiabatic accessibility'; this in turn provides a non-approximative, scale-independent distinction between work and heat and reveals an unexpected connection between information theory and the first law of thermodynamics (not just the second). It also achieves the long-sought unification of the axiomatic approach with Kelvin's.

This paper introduces an innovative approach to analyzing and improving multi-hop reasoning in AI systems by drawing inspiration from Hamiltonian mechanics. We propose a novel framework that maps reasoning chains in embedding spaces to Hamiltonian systems, allowing us to leverage powerful analytical tools from classical physics. Our method defines a Hamiltonian function that balances the progression of reasoning (kinetic energy) against the relevance to the question at hand (potential energy). Using this framework, we analyze a large dataset of reasoning chains from a multi-hop question-answering task, revealing intriguing patterns that distinguish valid from invalid reasoning. We show that valid reasoning chains have lower Hamiltonian energy and move in ways that make the best trade-off between getting more information and answering the right question. Furthermore, we demonstrate the application of this framework to steer the creation of more efficient reasoning algorithms within AI systems. Our results not only provide new insights into the nature of valid reasoning but also open up exciting possibilities for physics-inspired approaches to understanding and improving artificial intelligence.

We address the challenge of sound propagation simulations in 3D virtual rooms with moving sources, which have applications in virtual/augmented reality, game audio, and spatial computing. Solutions to the wave equation can describe wave phenomena such as diffraction and interference. However, simulating them using conventional numerical discretization methods with hundreds of source and receiver positions is intractable, making stimulating a sound field with moving sources impractical. To overcome this limitation, we propose using deep operator networks to approximate linear wave-equation operators. This enables the rapid prediction of sound propagation in realistic 3D acoustic scenes with moving sources, achieving millisecond-scale computations. By learning a compact surrogate model, we avoid the offline calculation and storage of impulse responses for all relevant source/listener pairs. Our experiments, including various complex scene geometries, show good agreement with reference solutions, with root mean squared errors ranging from 0.02 Pa to 0.10 Pa. Notably, our method signifies a paradigm shift as no prior machine learning approach has achieved precise predictions of complete wave fields within realistic domains. We anticipate that our findings will drive further exploration of deep neural operator methods, advancing research in immersive user experiences within virtual environments.

With the great success in simulating many intelligent behaviors using computing devices, there has been an ongoing debate whether all conscious activities are computational processes. In this paper, the answer to this question is shown to be no. A certain phenomenon of consciousness is demonstrated to be fully represented as a computational process using a quantum computer. Based on the computability criterion discussed with Turing machines, the model constructed is shown to necessarily involve a non-computable element. The concept that this is solely a quantum effect and does not work for a classical case is also discussed.

This article is about the neural conundrum behind the slowness of human behavior. The information throughput of a human being is about 10 bits/s. In comparison, our sensory systems gather data at ~10^9 bits/s. The stark contrast between these numbers remains unexplained and touches on fundamental aspects of brain function: What neural substrate sets this speed limit on the pace of our existence? Why does the brain need billions of neurons to process 10 bits/s? Why can we only think about one thing at a time? The brain seems to operate in two distinct modes: the "outer" brain handles fast high-dimensional sensory and motor signals, whereas the "inner" brain processes the reduced few bits needed to control behavior. Plausible explanations exist for the large neuron numbers in the outer brain, but not for the inner brain, and we propose new research directions to remedy this.

We use the AdS/CFT correspondence to study the thermodynamics of massive N=2 supersymmetric hypermultiplets coupled to N=4 supersymmetric SU(Nc) Yang-Mills theory in the limits of large Nc and large 't Hooft coupling. In particular, we study the theory at finite baryon number density. At zero temperature, we present an exact expression for the hypermultiplets' leading-order contribution to the free energy, and in the supergravity description we clarify which D-brane configuration is appropriate for any given value of the chemical potential. We find a second-order phase transition when the chemical potential equals the mass. At finite temperature, we present an exact expression for the hypermultiplets' leading-order contribution to the free energy at zero mass.

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

The collisionless Boltzmann equation (CBE) is a fundamental equation that governs the dynamics of a broad range of astrophysical systems from space plasma to star clusters and galaxies. It is computationally expensive to integrate the CBE directly in a multi-dimensional phase space, and thus the applications to realistic astrophysical problems have been limited so far. Recently, Todorova & Steijl (2020) proposed an efficient quantum algorithm to solve the CBE with significantly reduced computational complexity. We extend the algorithm to perform quantum simulations of self-gravitating systems, incorporating the method to calculate gravity with the major Fourier modes of the density distribution extracted from the solution-encoding quantum state. Our method improves the dependency of time and space complexities on Nv , the number of grid points in each velocity coordinate, compared to the classical simulation methods. We then conduct some numerical demonstrations of our method. We first run a 1+1 dimensional test calculation of free streaming motion on 64*64 grids using 13 simulated qubits and validate our method. We then perform simulations of Jeans collapse, and compare the result with analytic and linear theory calculations. It will thus allow us to perform large-scale CBE simulations on future quantum computers.

This paper focuses on the construction of a general parametric model that can be implemented executing multiple swap tests over few qubits and applying a suitable measurement protocol. The model turns out to be equivalent to a two-layer feedforward neural network which can be realized combining small quantum modules. The advantages and the perspectives of the proposed quantum method are discussed.

We study chromo-natural inflation in the axiverse. More precisely, we investigate natural inflation with two axions coupled with a SU(2) gauge field. Assuming a hierarchy between the coupling constants, we find that for certain initial conditions, conventional natural inflation commences and continues for tens of e-foldings, and subsequently chromo-natural inflation takes over from natural inflation. For these solutions, we expect that the predictions are in agreement with observations on CMB scales. Moreover, since chromo-natural inflation occurs in the latter part of the inflationary stage, chiral primordial gravitational waves are produced in the interesting frequency range higher than 10^{-10}Hz, which might be detectable by future gravitational wave observations.

Hamiltonian Monte Carlo has proven a remarkable empirical success, but only recently have we begun to develop a rigorous understanding of why it performs so well on difficult problems and how it is best applied in practice. Unfortunately, that understanding is confined within the mathematics of differential geometry which has limited its dissemination, especially to the applied communities for which it is particularly important. In this review I provide a comprehensive conceptual account of these theoretical foundations, focusing on developing a principled intuition behind the method and its optimal implementations rather of any exhaustive rigor. Whether a practitioner or a statistician, the dedicated reader will acquire a solid grasp of how Hamiltonian Monte Carlo works, when it succeeds, and, perhaps most importantly, when it fails.

We introduce a benchmark to evaluate the capability of AI to solve problems in theoretical physics, focusing on high-energy theory and cosmology. The first iteration of our benchmark consists of 57 problems of varying difficulty, from undergraduate to research level. These problems are novel in the sense that they do not come from public problem collections. We evaluate our data set on various open and closed language models, including o3-mini, o1, DeepSeek-R1, GPT-4o and versions of Llama and Qwen. While we find impressive progress in model performance with the most recent models, our research-level difficulty problems are mostly unsolved. We address challenges of auto-verifiability and grading, and discuss common failure modes. While currently state-of-the art models are still of limited use for researchers, our results show that AI assisted theoretical physics research may become possible in the near future. We discuss the main obstacles towards this goal and possible strategies to overcome them. The public problems and solutions, results for various models, and updates to the data set and score distribution, are available on the website of the dataset tpbench.org.

The recent LLMs like GPT-4 and PaLM-2 have made tremendous progress in solving fundamental math problems like GSM8K by achieving over 90\% accuracy. However, their capabilities to solve more challenging math problems which require domain-specific knowledge (i.e. theorem) have yet to be investigated. In this paper, we introduce TheoremQA, the first theorem-driven question-answering dataset designed to evaluate AI models' capabilities to apply theorems to solve challenging science problems. \dataset is curated by domain experts containing 800 high-quality questions covering 350 theoremse.g. Taylor's theorem, Lagrange's theorem, Huffman coding, Quantum Theorem, Elasticity Theorem, etc from Math, Physics, EE\&CS, and Finance. We evaluate a wide spectrum of 16 large language and code models with different prompting strategies like Chain-of-Thoughts and Program-of-Thoughts. We found that GPT-4's capabilities to solve these problems are unparalleled, achieving an accuracy of 51\% with Program-of-Thoughts Prompting. All the existing open-sourced models are below 15\%, barely surpassing the random-guess baseline. Given the diversity and broad coverage of \dataset, we believe it can be used as a better benchmark to evaluate LLMs' capabilities to solve challenging science problems. The data and code are released in https://github.com/wenhuchen/TheoremQA.

The Schr\"odinger Bridge (SB) is a powerful framework for solving generative modeling tasks such as unpaired domain translation. Most SB-related research focuses on continuous data space R^{D} and leaves open theoretical and algorithmic questions about applying SB methods to discrete data, e.g, on finite spaces S^{D}. Notable examples of such sets S are codebooks of vector-quantized (VQ) representations of modern autoencoders, tokens in texts, categories of atoms in molecules, etc. In this paper, we provide a theoretical and algorithmic foundation for solving SB in discrete spaces using the recently introduced Iterative Markovian Fitting (IMF) procedure. Specifically, we theoretically justify the convergence of discrete-time IMF (D-IMF) to SB in discrete spaces. This enables us to develop a practical computational algorithm for SB which we call Categorical Schr\"odinger Bridge Matching (CSBM). We show the performance of CSBM via a series of experiments with synthetic data and VQ representations of images.

I examine some analytical properties of a nonlinear reaction-diffusion system that has been used to model the propagation of a wildfire. I establish global-in-time existence and uniqueness of bounded mild solutions to the Cauchy problem for this system given bounded initial data. In particular, this shows that the model does not allow for thermal blow-up. If the initial temperature and fuel density also satisfy certain integrability conditions, the L^2-norms of these global solutions are uniformly bounded in time. Additionally, I use a bootstrap argument to show that small initial temperatures give rise to solutions that decay to zero as time goes to infinity, proving the existence of initial states that do not develop into travelling combustion waves.

Reviewing the progress in artificial intelligence over the past decade, various significant advances (e.g. object detection, image generation, large language models) have enabled AI systems to produce more semantically meaningful outputs and achieve widespread adoption in internet scenarios. Nevertheless, AI systems still struggle when it comes to understanding and interacting with the physical world. This reveals an important issue: relying solely on semantic-level concepts learned from internet data (e.g. texts, images) to understand the physical world is far from sufficient -- machine intelligence currently lacks an effective way to learn about the physical world. This research introduces the idea of analytic concept -- representing the concepts related to the physical world through programs of mathematical procedures, providing machine intelligence a portal to perceive, reason about, and interact with the physical world. Except for detailing the design philosophy and providing guidelines for the application of analytic concepts, this research also introduce about the infrastructure that has been built around analytic concepts. I aim for my research to contribute to addressing these questions: What is a proper abstraction of general concepts in the physical world for machine intelligence? How to systematically integrate structured priors with neural networks to constrain AI systems to comply with physical laws?

Reasoning models enhance performance by tackling problems in a step-by-step manner, decomposing them into sub-problems and exploring long chains of thought before producing an answer. However, applying extended reasoning to every step introduces substantial redundancy, as sub-problems vary widely in difficulty and complexity: a small number of pivotal steps are genuinely challenging and decisive for the final answer, while many others only involve straightforward revisions or simple computations. Therefore, a natural idea is to endow reasoning models with the ability to adaptively respond to this variation, rather than treating all steps with the same level of elaboration. To this end, we propose MixReasoning, a framework that dynamically adjusts the depth of reasoning within a single response. The resulting chain of thought then becomes a mixture of detailed reasoning on difficult steps and concise inference on simpler ones. Experiments on GSM8K, MATH-500, and AIME show that MixReasoning shortens reasoning length and substantially improves efficiency without compromising accuracy.

In this work, we generalize the reaction-diffusion equation in statistical physics, Schr\"odinger equation in quantum mechanics, Helmholtz equation in paraxial optics into the neural partial differential equations (NPDE), which can be considered as the fundamental equations in the field of artificial intelligence research. We take finite difference method to discretize NPDE for finding numerical solution, and the basic building blocks of deep neural network architecture, including multi-layer perceptron, convolutional neural network and recurrent neural networks, are generated. The learning strategies, such as Adaptive moment estimation, L-BFGS, pseudoinverse learning algorithms and partial differential equation constrained optimization, are also presented. We believe it is of significance that presented clear physical image of interpretable deep neural networks, which makes it be possible for applying to analog computing device design, and pave the road to physical artificial intelligence.

We apply a physics-informed deep-learning approach the PINN approach to the Black-Scholes equation for pricing American and European options. We test our approach on both simulated as well as real market data, compare it to analytical/numerical benchmarks. Our model is able to accurately capture the price behaviour on simulation data, while also exhibiting reasonable performance for market data. We also experiment with the architecture and learning process of our PINN model to provide more understanding of convergence and stability issues that impact performance.

We introduce CMPhysBench, designed to assess the proficiency of Large Language Models (LLMs) in Condensed Matter Physics, as a novel Benchmark. CMPhysBench is composed of more than 520 graduate-level meticulously curated questions covering both representative subfields and foundational theoretical frameworks of condensed matter physics, such as magnetism, superconductivity, strongly correlated systems, etc. To ensure a deep understanding of the problem-solving process,we focus exclusively on calculation problems, requiring LLMs to independently generate comprehensive solutions. Meanwhile, leveraging tree-based representations of expressions, we introduce the Scalable Expression Edit Distance (SEED) score, which provides fine-grained (non-binary) partial credit and yields a more accurate assessment of similarity between prediction and ground-truth. Our results show that even the best models, Grok-4, reach only 36 average SEED score and 28% accuracy on CMPhysBench, underscoring a significant capability gap, especially for this practical and frontier domain relative to traditional physics. The code anddataset are publicly available at https://github.com/CMPhysBench/CMPhysBench.

We present an accessible first course on diffusion models and flow matching for machine learning, aimed at a technical audience with no diffusion experience. We try to simplify the mathematical details as much as possible (sometimes heuristically), while retaining enough precision to derive correct algorithms.

The paper is a continuation of the study started in Yorzh1. Schrodinger operators on finite compact metric graphs are considered under the assumption that the matching conditions at the graph vertices are of delta type. Either an infinite series of trace formulae (provided that edge potentials are infinitely smooth) or a finite number of such formulae (in the cases of L_1 and C^M edge potentials) are obtained which link together two different quantum graphs under the assumption that their spectra coincide. Applications are given to the problem of recovering matching conditions for a quantum graph based on its spectrum.

A theoretical approach to describing transport of an entire ensemble of clusters with different sizes as a single species in gas has been developed. The major assumption is an existence of local partial chemical equilibrium between the clusters. It is shown that thermal diffusion emerges in the collective description as a significant factor even if it is negligible when transport of the original molecular species is considered. Analytical expressions for the effective diffusion and thermal diffusion coefficients at temperature, pressure, and chemical composition gradients have been derived. The theory has been applied to a technology of H2S conversion in a centrifugal plasma-chemical reactor and has made it possible to account for sulfur clusters in numerical process modeling.

We provide an optimization-based framework to perform counterfactual analysis in a dynamic model with hidden states. Our framework is grounded in the ``abduction, action, and prediction'' approach to answer counterfactual queries and handles two key challenges where (1) the states are hidden and (2) the model is dynamic. Recognizing the lack of knowledge on the underlying causal mechanism and the possibility of infinitely many such mechanisms, we optimize over this space and compute upper and lower bounds on the counterfactual quantity of interest. Our work brings together ideas from causality, state-space models, simulation, and optimization, and we apply it on a breast cancer case study. To the best of our knowledge, we are the first to compute lower and upper bounds on a counterfactual query in a dynamic latent-state model.

This technical report analyzes the challenge of "hallucinations" (false information) in LLMs applied to law. It examines their causes, manifestations, and the effectiveness of the RAG mitigation strategy, highlighting its limitations and proposing holistic optimizations. The paper explores the ethical and regulatory implications, emphasizing human oversight as an irreplaceable role. It concludes that the solution lies not in incrementally improving generative models, but in adopting a "consultative" AI paradigm that prioritizes veracity and traceability, acting as a tool to amplify, not replace, professional judgment. -- Este informe t\'ecnico analiza el desaf\'io de las "alucinaciones" (informaci\'on falsa) en los LLMs aplicados al derecho. Se examinan sus causas, manifestaciones y la efectividad de la estrategia de mitigaci\'on RAG, exponiendo sus limitaciones y proponiendo optimizaciones hol\'isticas. Se exploran las implicaciones \'eticas y regulatorias, enfatizando la supervisi\'on humana como un rol insustituible. El documento concluye que la soluci\'on no reside en mejorar incrementalmente los modelos generativos, sino en adoptar un paradigma de IA "consultiva" que priorice la veracidad y la trazabilidad, actuando como una herramienta para amplificar, y no sustituir, el juicio profesional.

Reasoning quality in large language models depends not only on producing correct answers but also on generating valid intermediate steps. We study this through multiple-choice question answering (MCQA), which provides a controlled setting with fixed answer options. Our analysis shows that when questions are effectively unsolvable for a model, spurious chains of thought (CoTs) are more likely to appear, leading to false positives. By estimating the solvability of each question, we uncover an intermediate regime where learning is most effective. Building on this insight, we adapt outcome-supervised reward models and reinforcement learning with group-relative advantage to incorporate solvability into their objectives. Across experiments on math and multimodal datasets, these modifications consistently yield higher rates of process-correct reasoning and, in reinforcement learning, improved answer accuracy as well. Our results highlight solvability as a key factor for reducing hallucinations and increasing reliability in CoT reasoning.

We propose a general two-stage algorithm that enjoys a provable scaling law for the test-time compute of large language models (LLMs). Given an input problem, the proposed algorithm first generates N candidate solutions, and then chooses the best one via a multiple-round knockout tournament where each pair of candidates are compared for K times and only the winners move on to the next round. In a minimalistic implementation, both stages can be executed with a black-box LLM alone and nothing else (e.g., no external verifier or reward model), and a total of N times (K + 1) highly parallelizable LLM calls are needed for solving an input problem. Assuming that a generated candidate solution is correct with probability p_{gen} > 0 and a comparison between a pair of correct and incorrect solutions identifies the right winner with probability p_{comp} > 0.5 (i.e., better than a random guess), we prove theoretically that the failure probability of the proposed algorithm decays to zero exponentially with respect to N and K: $P(final output is incorrect) le (1 - p_{gen})^N + lceil log_2 N rceil e^{-2 K (p_{comp} - 0.5)^2}.$ Our empirical results with the challenging MMLU-Pro benchmark validate the technical assumptions, as well as the efficacy of the proposed algorithm and the gains from scaling up its test-time compute.

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

Wentzel, Kramers, Brillouin (WKB) approximation for fractional systems is investigated in this paper using the fractional calculus. In the fractional case the wave function is constructed such that the phase factor is the same as the Hamilton's principle function "S". To demonstrate our proposed approach two examples are investigated in details.

The "theoretical limit of time-frequency resolution in Fourier analysis" is thought to originate in certain mathematical and/or physical limitations. This, however, is not true. The actual origin arises from the numerical (technical) method deployed to reduce computation time. In addition, there is a gap between the theoretical equation for Fourier analysis and its numerical implementation. Knowing the facts brings us practical benefits. In this case, these related to boundary conditions, and complex integrals. For example, replacing a Fourier integral with a complex integral brings a hybrid method for the Laplace and Fourier transforms, and reveals another perspective on time-frequency analysis. We present such a perspective here with a simple demonstrative analysis.

We study the impact on mechanisms for facility location of moving from one dimension to two (or more) dimensions and Euclidean or Manhattan distances. We consider three fundamental axiomatic properties: anonymity which is a basic fairness property, Pareto optimality which is one of the most important efficiency properties, and strategy proofness which ensures agents do not have an incentive to mis-report. We also consider how well such mechanisms can approximate the optimal welfare. Our results are somewhat negative. Moving from one dimension to two (or more) dimensions often makes these axiomatic properties more difficult to achieve. For example, with two facilities in Euclidean space or with just a single facility in Manhattan space, no mechanism is anonymous, Pareto optimal and strategy proof. By contrast, mechanisms on the line exist with all three properties.We also show that approximation ratios may increase when moving to two (or more) dimensions. All our impossibility results are minimal. If we drop one of the three axioms (anonymity, Pareto optimality or strategy proofness) multiple mechanisms satisfy the other two axioms.

It is almost always easier to find an accurate-but-complex model than an accurate-yet-simple model. Finding optimal, sparse, accurate models of various forms (linear models with integer coefficients, decision sets, rule lists, decision trees) is generally NP-hard. We often do not know whether the search for a simpler model will be worthwhile, and thus we do not go to the trouble of searching for one. In this work, we ask an important practical question: can accurate-yet-simple models be proven to exist, or shown likely to exist, before explicitly searching for them? We hypothesize that there is an important reason that simple-yet-accurate models often do exist. This hypothesis is that the size of the Rashomon set is often large, where the Rashomon set is the set of almost-equally-accurate models from a function class. If the Rashomon set is large, it contains numerous accurate models, and perhaps at least one of them is the simple model we desire. In this work, we formally present the Rashomon ratio as a new gauge of simplicity for a learning problem, depending on a function class and a data set. The Rashomon ratio is the ratio of the volume of the set of accurate models to the volume of the hypothesis space, and it is different from standard complexity measures from statistical learning theory. Insight from studying the Rashomon ratio provides an easy way to check whether a simpler model might exist for a problem before finding it, namely whether several different machine learning methods achieve similar performance on the data. In that sense, the Rashomon ratio is a powerful tool for understanding why and when an accurate-yet-simple model might exist. If, as we hypothesize in this work, many real-world data sets admit large Rashomon sets, the implications are vast: it means that simple or interpretable models may often be used for high-stakes decisions without losing accuracy.

The aim of this paper is to present an elementary computable theory of probability, random variables and stochastic processes. The probability theory is baed on existing approaches using valuations and lower integrals. Various approaches to random variables are discussed, including the approach based on completions in a Polish space. We apply the theory to the study of stochastic dynamical systems in discrete-time, and give a brief exposition of the Wiener process as a foundation for stochastic differential equations. The theory is based within the framework of type-two effectivity, so has an explicit direct link with Turing computation, and is expressed in a system of computable types and operations, so has a clean mathematical description.

In training neural networks, it is common practice to use partial gradients computed over batches, mostly very small subsets of the training set. This approach is motivated by the argument that such a partial gradient is close to the true one, with precision growing only with the square root of the batch size. A theoretical justification is with the help of stochastic approximation theory. However, the conditions for the validity of this theory are not satisfied in the usual learning rate schedules. Batch processing is also difficult to combine with efficient second-order optimization methods. This proposal is based on another hypothesis: the loss minimum of the training set can be expected to be well-approximated by the minima of its subsets. Such subset minima can be computed in a fraction of the time necessary for optimizing over the whole training set. This hypothesis has been tested with the help of the MNIST, CIFAR-10, and CIFAR-100 image classification benchmarks, optionally extended by training data augmentation. The experiments have confirmed that results equivalent to conventional training can be reached. In summary, even small subsets are representative if the overdetermination ratio for the given model parameter set sufficiently exceeds unity. The computing expense can be reduced to a tenth or less.

We prove a new existence theorem for proper solutions of Huisken and Ilmanen's weak inverse mean curvature flow, assuming certain non-degeneracy conditions on the isoperimetric profile. In particular, no curvature assumption is imposed in our existence theorem.

As Large Language Models become more ubiquitous across domains, it becomes important to examine their inherent limitations critically. This work argues that hallucinations in language models are not just occasional errors but an inevitable feature of these systems. We demonstrate that hallucinations stem from the fundamental mathematical and logical structure of LLMs. It is, therefore, impossible to eliminate them through architectural improvements, dataset enhancements, or fact-checking mechanisms. Our analysis draws on computational theory and Godel's First Incompleteness Theorem, which references the undecidability of problems like the Halting, Emptiness, and Acceptance Problems. We demonstrate that every stage of the LLM process-from training data compilation to fact retrieval, intent classification, and text generation-will have a non-zero probability of producing hallucinations. This work introduces the concept of Structural Hallucination as an intrinsic nature of these systems. By establishing the mathematical certainty of hallucinations, we challenge the prevailing notion that they can be fully mitigated.

The nexus of quantum computing and machine learning - quantum machine learning - offers the potential for significant advancements in chemistry. This review specifically explores the potential of quantum neural networks on gate-based quantum computers within the context of drug discovery. We discuss the theoretical foundations of quantum machine learning, including data encoding, variational quantum circuits, and hybrid quantum-classical approaches. Applications to drug discovery are highlighted, including molecular property prediction and molecular generation. We provide a balanced perspective, emphasizing both the potential benefits and the challenges that must be addressed.

The discovery of novel materials and functional molecules can help to solve some of society's most urgent challenges, ranging from efficient energy harvesting and storage to uncovering novel pharmaceutical drug candidates. Traditionally matter engineering -- generally denoted as inverse design -- was based massively on human intuition and high-throughput virtual screening. The last few years have seen the emergence of significant interest in computer-inspired designs based on evolutionary or deep learning methods. The major challenge here is that the standard strings molecular representation SMILES shows substantial weaknesses in that task because large fractions of strings do not correspond to valid molecules. Here, we solve this problem at a fundamental level and introduce SELFIES (SELF-referencIng Embedded Strings), a string-based representation of molecules which is 100\% robust. Every SELFIES string corresponds to a valid molecule, and SELFIES can represent every molecule. SELFIES can be directly applied in arbitrary machine learning models without the adaptation of the models; each of the generated molecule candidates is valid. In our experiments, the model's internal memory stores two orders of magnitude more diverse molecules than a similar test with SMILES. Furthermore, as all molecules are valid, it allows for explanation and interpretation of the internal working of the generative models.

We consider strategy proof mechanisms for facility location which maximize equitability between agents. As is common in the literature, we measure equitability with the Gini index. We first prove a simple but fundamental impossibility result that no strategy proof mechanism can bound the approximation ratio of the optimal Gini index of utilities for one or more facilities. We propose instead computing approximation ratios of the complemented Gini index of utilities, and consider how well both deterministic and randomized mechanisms approximate this. In addition, as Nash welfare is often put forwards as an equitable compromise between egalitarian and utilitarian outcomes, we consider how well mechanisms approximate the Nash welfare.

There is some theoretical evidence that deep neural networks with multiple hidden layers have a potential for more efficient representation of multidimensional mappings than shallow networks with a single hidden layer. The question is whether it is possible to exploit this theoretical advantage for finding such representations with help of numerical training methods. Tests using prototypical problems with a known mean square minimum did not confirm this hypothesis. Minima found with the help of deep networks have always been worse than those found using shallow networks. This does not directly contradict the theoretical findings---it is possible that the superior representational capacity of deep networks is genuine while finding the mean square minimum of such deep networks is a substantially harder problem than with shallow ones.

We present a web-based software tool, the Virtual Quantum Optics Laboratory (VQOL), that may be used for designing and executing realistic simulations of quantum optics experiments. A graphical user interface allows one to rapidly build and configure a variety of different optical experiments, while the runtime environment provides unique capabilities for visualization and analysis. All standard linear optical components are available as well as sources of thermal, coherent, and entangled Gaussian states. A unique aspect of VQOL is the introduction of non-Gaussian measurements using detectors modeled as deterministic devices that "click" when the amplitude of the light falls above a given threshold. We describe the underlying theoretical models and provide several illustrative examples. We find that VQOL provides a a faithful representation of many experimental quantum optics phenomena and may serve as both a useful instructional tool for students as well as a valuable research tool for practitioners.

We use the AdS/CFT correspondence to compute the conductivity of massive N=2 hypermultiplet fields at finite baryon number density in an N=4 SU(N_c) super-Yang-Mills theory plasma in the large N_c, large 't Hooft coupling limit. The finite baryon density provides charge carriers analogous to electrons in a metal. An external electric field then induces a finite current which we determine directly. Our result for the conductivity is good for all values of the mass, external field and density, modulo statements about the yet-incomplete phase diagram. In the appropriate limits it agrees with known results obtained from analyzing small fluctuations around equilibrium. For large mass, where we expect a good quasi-particle description, we compute the drag force on the charge carriers and find that the answer is unchanged from the zero density case. Our method easily generalizes to a wide class of systems of probe branes in various backgrounds.

A large amount of effort has recently been put into understanding the barren plateau phenomenon. In this perspective article, we face the increasingly loud elephant in the room and ask a question that has been hinted at by many but not explicitly addressed: Can the structure that allows one to avoid barren plateaus also be leveraged to efficiently simulate the loss classically? We present strong evidence that commonly used models with provable absence of barren plateaus are also classically simulable, provided that one can collect some classical data from quantum devices during an initial data acquisition phase. This follows from the observation that barren plateaus result from a curse of dimensionality, and that current approaches for solving them end up encoding the problem into some small, classically simulable, subspaces. Thus, while stressing quantum computers can be essential for collecting data, our analysis sheds serious doubt on the non-classicality of the information processing capabilities of parametrized quantum circuits for barren plateau-free landscapes. We end by discussing caveats in our arguments, the role of smart initializations and the possibility of provably superpolynomial, or simply practical, advantages from running parametrized quantum circuits.

As a seemingly self-explanatory task, problem-solving has been a significant component of science and engineering. However, a general yet concrete formulation of problem-solving itself is missing. With the recent development of AI-based problem-solving agents, the demand for process-level verifiability is rapidly increasing yet underexplored. To fill these gaps, we present a principled formulation of problem-solving as a deterministic Markov decision process; a novel framework, FPS (Formal Problem-Solving), which utilizes existing FTP (formal theorem proving) environments to perform process-verified problem-solving; and D-FPS (Deductive FPS), decoupling solving and answer verification for better human-alignment. The expressiveness, soundness and completeness of the frameworks are proven. We construct three benchmarks on problem-solving: FormalMath500, a formalization of a subset of the MATH500 benchmark; MiniF2F-Solving and PutnamBench-Solving, adaptations of FTP benchmarks MiniF2F and PutnamBench. For faithful, interpretable, and human-aligned evaluation, we propose RPE (Restricted Propositional Equivalence), a symbolic approach to determine the correctness of answers by formal verification. We evaluate four prevalent FTP models and two prompting methods as baselines, solving at most 23.77% of FormalMath500, 27.47% of MiniF2F-Solving, and 0.31% of PutnamBench-Solving.

We introduce a framework based on bilevel programming that unifies gradient-based hyperparameter optimization and meta-learning. We show that an approximate version of the bilevel problem can be solved by taking into explicit account the optimization dynamics for the inner objective. Depending on the specific setting, the outer variables take either the meaning of hyperparameters in a supervised learning problem or parameters of a meta-learner. We provide sufficient conditions under which solutions of the approximate problem converge to those of the exact problem. We instantiate our approach for meta-learning in the case of deep learning where representation layers are treated as hyperparameters shared across a set of training episodes. In experiments, we confirm our theoretical findings, present encouraging results for few-shot learning and contrast the bilevel approach against classical approaches for learning-to-learn.

In their recent Nature Human Behaviour paper, "Emergent analogical reasoning in large language models," (Webb, Holyoak, and Lu, 2023) the authors argue that "large language models such as GPT-3 have acquired an emergent ability to find zero-shot solutions to a broad range of analogy problems." In this response, we provide counterexamples of the letter string analogies. In our tests, GPT-3 fails to solve even the easiest variants of the problems presented in the original paper. Zero-shot reasoning is an extraordinary claim that requires extraordinary evidence. We do not see that evidence in our experiments. To strengthen claims of humanlike reasoning such as zero-shot reasoning, it is important that the field develop approaches that rule out data memorization.

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

We introduce an open-source package called QTraj that solves the Lindblad equation for heavy-quarkonium dynamics using the quantum trajectories algorithm. The package allows users to simulate the suppression of heavy-quarkonium states using externally-supplied input from 3+1D hydrodynamics simulations. The code uses a split-step pseudo-spectral method for updating the wave-function between jumps, which is implemented using the open-source multi-threaded FFTW3 package. This allows one to have manifestly unitary evolution when using real-valued potentials. In this paper, we provide detailed documentation of QTraj 1.0, installation instructions, and present various tests and benchmarks of the code.

We provide a mapping between past null and future null infinity in three-dimensional flat space, using symmetry considerations. From this we derive a mapping between the corresponding asymptotic symmetry groups. By studying the metric at asymptotic regions, we find that the mapping is energy preserving and yields an infinite number of conservation laws.

There is growing excitement about the potential of Language Models (LMs) to accelerate scientific discovery. Falsifying hypotheses is key to scientific progress, as it allows claims to be iteratively refined over time. This process requires significant researcher effort, reasoning, and ingenuity. Yet current benchmarks for LMs predominantly assess their ability to generate solutions rather than challenge them. We advocate for developing benchmarks that evaluate this inverse capability - creating counterexamples for subtly incorrect solutions. To demonstrate this approach, we start with the domain of algorithmic problem solving, where counterexamples can be evaluated automatically using code execution. Specifically, we introduce REFUTE, a dynamically updating benchmark that includes recent problems and incorrect submissions from programming competitions, where human experts successfully identified counterexamples. Our analysis finds that the best reasoning agents, even OpenAI o3-mini (high) with code execution feedback, can create counterexamples for only <9% of incorrect solutions in REFUTE, even though ratings indicate its ability to solve up to 48% of these problems from scratch. We hope our work spurs progress in evaluating and enhancing LMs' ability to falsify incorrect solutions - a capability that is crucial for both accelerating research and making models self-improve through reliable reflective reasoning.

Counterfactual explanations is one of the post-hoc methods used to provide explainability to machine learning models that have been attracting attention in recent years. Most examples in the literature, address the problem of generating post-hoc explanations for black-box machine learning models after the rejection of a loan application. In contrast, in this work, we investigate mathematical programming formulations for scorecard models, a type of interpretable model predominant within the banking industry for lending. The proposed mixed-integer programming formulations combine objective functions to ensure close, realistic and sparse counterfactuals using multi-objective optimization techniques for a binary, probability or continuous outcome. Moreover, we extend these formulations to generate multiple optimal counterfactuals simultaneously while guaranteeing diversity. Experiments on two real-world datasets confirm that the presented approach can generate optimal diverse counterfactuals addressing desired properties with assumable CPU times for practice use.

In this paper, we consider a critical Grushin-type problem with double potentials. By applying the reduction argument and local Pohozaev identities, we construct a new family of solutions to this problem, which are concentrated at points lying on the top and the bottom circles of a cylinder.

We advocate for a strong integration of Computational Creativity (CC) with research in large language and vision models (LLVMs) to address a key limitation of these models, i.e., creative problem solving. We present preliminary experiments showing how CC principles can be applied to address this limitation. Our goal is to foster discussions on creative problem solving in LLVMs and CC at prestigious ML venues. Our code is available at: https://github.com/lnairGT/creative-problem-solving-LLMs

Our aim is to contribute to quantum field theory (QFT) formalisms useful for descriptions of short time phenomena, dominant especially in heavy ion collisions. We formulate out-of-equilibrium QFT within the finite-time-path formalism (FTP) and renormalization theory (RT). The potential conflict of FTP and RT is investigated in g phi^3 QFT, by using the retarded/advanced (R/A) basis of Green functions and dimensional renormalization (DR). For example, vertices immediately after (in time) divergent self-energy loops do not conserve energy, as integrals diverge. We "repair" them, while keeping d<4, to obtain energy conservation at those vertices. Already in the S-matrix theory, the renormalized, finite part of Feynman self-energy Sigma_{F}(p_0) does not vanish when |p_0|rightarrowinfty and cannot be split to retarded and advanced parts. In the Glaser--Epstein approach, the causality is repaired in the composite object G_F(p_0)Sigma_{F}(p_0). In the FTP approach, after repairing the vertices, the corresponding composite objects are G_R(p_0)Sigma_{R}(p_0) and Sigma_{A}(p_0)G_A(p_0). In the limit drightarrow 4, one obtains causal QFT. The tadpole contribution splits into diverging and finite parts. The diverging, constant component is eliminated by the renormalization condition langle 0|phi|0rangle =0 of the S-matrix theory. The finite, oscillating energy-nonconserving tadpole contributions vanish in the limit trightarrow infty .

We focus on a simple, one-dimensional collective decision problem (often referred to as the facility location problem) and explore issues of strategyproofness and proportionality-based fairness. We introduce and analyze a hierarchy of proportionality-based fairness axioms of varying strength: Individual Fair Share (IFS), Unanimous Fair Share (UFS), Proportionality (as in Freeman et al, 2021), and Proportional Fairness (PF). For each axiom, we characterize the family of mechanisms that satisfy the axiom and strategyproofness. We show that imposing strategyproofness renders many of the axioms to be equivalent: the family of mechanisms that satisfy proportionality, unanimity, and strategyproofness is equivalent to the family of mechanisms that satisfy UFS and strategyproofness, which, in turn, is equivalent to the family of mechanisms that satisfy PF and strategyproofness. Furthermore, there is a unique such mechanism: the Uniform Phantom mechanism, which is studied in Freeman et al. (2021). We also characterize the outcomes of the Uniform Phantom mechanism as the unique (pure) equilibrium outcome for any mechanism that satisfies continuity, strict monotonicity, and UFS. Finally, we analyze the approximation guarantees, in terms of optimal social welfare and minimum total cost, obtained by mechanisms that are strategyproof and satisfy each proportionality-based fairness axiom. We show that the Uniform Phantom mechanism provides the best approximation of the optimal social welfare (and also minimum total cost) among all mechanisms that satisfy UFS.

The study demonstrates the capabilities of a vector-based approach for calculating stoichiometric coefficients in chemical equations, using black powder as an illustrative example. A method is proposed for selecting and constraining intermediate interactions between reactants, as well as for identifying final products. It is shown that even a small number of components can lead to a large number of final and intermediate products. Through concrete calculations, a correlation is established between the number of possible chemical equations and the number of reactants. A methodology is proposed for computing all possible chemical equations within a reaction system for arbitrary component ratios, enabling the derivation of all feasible chemical reactions. Additionally, a method is developed for calculating the chemical composition for a fixed set of reactants, allowing for the evaluation of the set of products resulting from all possible chemical interactions given a specified initial composition.

We extend molecular bootstrap embedding to make it appropriate for implementation on a quantum computer. This enables solution of the electronic structure problem of a large molecule as an optimization problem for a composite Lagrangian governing fragments of the total system, in such a way that fragment solutions can harness the capabilities of quantum computers. By employing state-of-art quantum subroutines including the quantum SWAP test and quantum amplitude amplification, we show how a quadratic speedup can be obtained over the classical algorithm, in principle. Utilization of quantum computation also allows the algorithm to match -- at little additional computational cost -- full density matrices at fragment boundaries, instead of being limited to 1-RDMs. Current quantum computers are small, but quantum bootstrap embedding provides a potentially generalizable strategy for harnessing such small machines through quantum fragment matching.

Modern cosmological surveys are delivering datasets characterized by unprecedented quality and statistical completeness; this trend is expected to continue into the future as new ground- and space-based surveys come online. In order to maximally extract cosmological information from these observations, matching theoretical predictions are needed. At low redshifts, the surveys probe the nonlinear regime of structure formation where cosmological simulations are the primary means of obtaining the required information. The computational cost of sufficiently resolved large-volume simulations makes it prohibitive to run very large ensembles. Nevertheless, precision emulators built on a tractable number of high-quality simulations can be used to build very fast prediction schemes to enable a variety of cosmological inference studies. We have recently introduced the Mira-Titan Universe simulation suite designed to construct emulators for a range of cosmological probes. The suite covers the standard six cosmological parameters {omega_m,omega_b, sigma_8, h, n_s, w_0} and, in addition, includes massive neutrinos and a dynamical dark energy equation of state, {omega_{nu}, w_a}. In this paper we present the final emulator for the matter power spectrum based on 111 cosmological simulations, each covering a (2.1Gpc)^3 volume and evolving 3200^3 particles. An additional set of 1776 lower-resolution simulations and TimeRG perturbation theory results for the power spectrum are used to cover scales straddling the linear to mildly nonlinear regimes. The emulator provides predictions at the two to three percent level of accuracy over a wide range of cosmological parameters and is publicly released as part of this paper.

The origins of the colors of Trans-Neptunian Objects (TNOs) represent a crucial unresolved question, central to understanding the history of our Solar System. Recent observational surveys have revealed correlations between the eccentricity and inclination of TNOs and their colors. This has rekindled the long-standing debate on whether these colors reflect the conditions of TNO formation or their subsequent collisional evolution. In this study, we address this question with 98.7% certainty, using a model-agnostic, data-driven approach based on causal graphs. First, as a sanity check, we demonstrate how our model can replicate the currently accepted paradigms of TNOs' dynamical history, blindly and without any orbital modeling or physics-based assumptions. In fact, our causal model (with no knowledge of the existence of Neptune) predicts the existence of an unknown perturbing body, i.e., Neptune. We then show how this model predicts, with high certainty, that the color of TNOs is the root cause of their inclination distribution, rather than the other way around. This strongly suggests that the colors of TNOs reflect an underlying dynamical property, most likely their formation location. Moreover, our causal model excludes formation scenarios that invoke substantial color modification by subsequent irradiation. We therefore conclude that the colors of TNOs are predominantly primordial.

The decay of metastable 'false vacuum' states via bubble nucleation plays a crucial role in many cosmological scenarios. Cold-atom analog experiments will soon provide the first empirical probes of this process, with potentially far-reaching implications for early-Universe cosmology and high-energy physics. However, an inevitable difference between these analog systems and the early Universe is that the former have a boundary. We show, using a combination of Euclidean calculations and real-time lattice simulations, that these boundaries generically cause rapid bubble nucleation on the edge of the experiment, obscuring the bulk nucleation that is relevant for cosmology. We demonstrate that implementing a high-density 'trench' region at the boundary completely eliminates this problem, and recovers the desired cosmological behavior. Our findings are relevant for ongoing efforts to probe vacuum decay in the laboratory, providing a practical solution to a key experimental obstacle.

The exponential growth of knowledge and the increasing complexity of interdisciplinary research pose significant challenges for researchers, including information overload and difficulties in exploring novel ideas. The advancements in large language models (LLMs), such as GPT-4, have shown great potential in enhancing idea proposals, but how to effectively utilize large models for reasonable idea proposal has not been thoroughly explored. This paper proposes a scientific paper idea proposer (SciPIP). Based on a user-provided research background, SciPIP retrieves helpful papers from a literature database while leveraging the capabilities of LLMs to generate more novel and feasible ideas. To this end, 1) we construct a literature retrieval database, extracting lots of papers' multi-dimension information for fast access. Then, a literature retrieval method based on semantics, entity, and citation co-occurrences is proposed to search relevant literature from multiple aspects based on the user-provided background. 2) After literature retrieval, we introduce dual-path idea proposal strategies, where one path infers solutions from the retrieved literature and the other path generates original ideas through model brainstorming. We then combine the two to achieve a good balance between feasibility and originality. Through extensive experiments on the natural language processing (NLP) field, we demonstrate that SciPIP can retrieve citations similar to those of existing top conference papers and generate many ideas consistent with them. Additionally, we evaluate the originality of other ideas generated by SciPIP using large language models, further validating the effectiveness of our proposed method. The code and the database are released at https://github.com/cheerss/SciPIP.

Large Language Models (LLMs) have demonstrated promising capabilities in solving mathematical reasoning tasks, leveraging Chain-of-Thought (CoT) data as a vital component in guiding answer generation. Current paradigms typically generate CoT and answers directly for a given problem, diverging from human problem-solving strategies to some extent. Humans often solve problems by recalling analogous cases and leveraging their solutions to reason about the current task. Inspired by this cognitive process, we propose MetaLadder, a novel framework that explicitly prompts LLMs to recall and reflect on meta-problems, those structurally or semantically analogous problems, alongside their CoT solutions before addressing the target problem. Additionally, we introduce a problem-restating mechanism to enhance the model's comprehension of the target problem by regenerating the original question, which further improves reasoning accuracy. Therefore, the model can achieve reasoning transfer from analogical problems, mimicking human-like "learning from examples" and generalization abilities. Extensive experiments on mathematical benchmarks demonstrate that our MetaLadder significantly boosts LLMs' problem-solving accuracy, largely outperforming standard CoT-based methods (10.3\% accuracy gain) and other methods. Our code and data has been released at https://github.com/LHL3341/MetaLadder.

Superconductivity allows electrical current to flow without any energy loss, and thus making solids superconducting is a grand goal of physics, material science, and electrical engineering. More than 16 Nobel Laureates have been awarded for their contribution to superconductivity research. Superconductors are valuable for sustainable development goals (SDGs), such as climate change mitigation, affordable and clean energy, industry, innovation and infrastructure, and so on. However, a unified physics theory explaining all superconductivity mechanism is still unknown. It is believed that superconductivity is microscopically due to not only molecular compositions but also the geometric crystal structure. Hence a new dataset, S2S, containing both crystal structures and superconducting critical temperature, is built upon SuperCon and Material Project. Based on this new dataset, we propose a novel model, S2SNet, which utilizes the attention mechanism for superconductivity prediction. To overcome the shortage of data, S2SNet is pre-trained on the whole Material Project dataset with Masked-Language Modeling (MLM). S2SNet makes a new state-of-the-art, with out-of-sample accuracy of 92% and Area Under Curve (AUC) of 0.92. To the best of our knowledge, S2SNet is the first work to predict superconductivity with only information of crystal structures. This work is beneficial to superconductivity discovery and further SDGs. Code and datasets are available in https://github.com/zjuKeLiu/S2SNet

Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g. planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) and laboratory experiments, including inertial confinement fusion. There exists experimental data for the equation of state, conductivity, and Thomson scattering spectra. However, the analysis of the measurements at extreme pressures and temperatures typically involves additional model assumptions, which makes it difficult to assess the accuracy of the experimental data. rigorously. On the other hand, theory and modeling have produced extensive collections of data. They originate from a very large variety of models and simulations including path integral Monte Carlo (PIMC) simulations, density functional theory (DFT), chemical models, machine-learned models, and combinations thereof. At the same time, each of these methods has fundamental limitations (fermion sign problem in PIMC, approximate exchange-correlation functionals of DFT, inconsistent interaction energy contributions in chemical models, etc.), so for some parameter ranges accurate predictions are difficult. Recently, a number of breakthroughs in first principle PIMC and DFT simulations were achieved which are discussed in this review. Here we use these results to benchmark different simulation methods. We present an update of the hydrogen phase diagram at high pressures, the expected phase transitions, and thermodynamic properties including the equation of state and momentum distribution. Furthermore, we discuss available dynamic results for warm dense hydrogen, including the conductivity, dynamic structure factor, plasmon dispersion, imaginary-time structure, and density response functions. We conclude by outlining strategies to combine different simulations to achieve accurate theoretical predictions.

Neo-Darwinian evolutionary theory explains how the appearance of purposive design in the sophisticated adaptations of living organisms can have come about without their intentionally being designed. The explanation relies crucially on the possibility of certain physical processes: mainly, gene replication and natural selection. In this paper I show that for those processes to be possible without the design of biological adaptations being encoded in the laws of physics, those laws must have certain other properties. The theory of what these properties are is not part of evolution theory proper, and has not been developed, yet without it the neo-Darwinian theory does not fully achieve its purpose of explaining the appearance of design. To this end I apply Constructor Theory's new mode of explanation to provide an exact formulation of the appearance of design, of no-design laws, and of the logic of self-reproduction and natural selection, within fundamental physics. I conclude that self-reproduction, replication and natural selection are possible under no-design laws, the only non-trivial condition being that they allow digital information to be physically instantiated. This has an exact characterisation in the constructor theory of information. I also show that under no-design laws an accurate replicator requires the existence of a "vehicle" constituting, together with the replicator, a self-reproducer.

Self-supervised learning (SSL) is rapidly closing the gap with supervised methods on large computer vision benchmarks. A successful approach to SSL is to learn embeddings which are invariant to distortions of the input sample. However, a recurring issue with this approach is the existence of trivial constant solutions. Most current methods avoid such solutions by careful implementation details. We propose an objective function that naturally avoids collapse by measuring the cross-correlation matrix between the outputs of two identical networks fed with distorted versions of a sample, and making it as close to the identity matrix as possible. This causes the embedding vectors of distorted versions of a sample to be similar, while minimizing the redundancy between the components of these vectors. The method is called Barlow Twins, owing to neuroscientist H. Barlow's redundancy-reduction principle applied to a pair of identical networks. Barlow Twins does not require large batches nor asymmetry between the network twins such as a predictor network, gradient stopping, or a moving average on the weight updates. Intriguingly it benefits from very high-dimensional output vectors. Barlow Twins outperforms previous methods on ImageNet for semi-supervised classification in the low-data regime, and is on par with current state of the art for ImageNet classification with a linear classifier head, and for transfer tasks of classification and object detection.

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

The original Grover's algorithm suffers from the souffle problem, which means that the success probability of quantum search decreases dramatically if the iteration time is too small or too large from the right time. To overcome the souffle problem, the fixed-point quantum search with an optimal number of queries was proposed [Phys. Rev. Lett. 113, 210501 (2014)], which always finds a marked state with a high probability when a lower bound of the proportion of marked states is given. The fixed-point quantum search relies on a key lemma regarding the explicit formula of recursive quasi-Chebyshev polynomials, but its proof is not given explicitly. In this work, we give a detailed proof of this lemma, thus providing a sound foundation for the correctness of the fixed-point quantum search. This lemma may be of independent interest as well, since it expands the mathematical form of the recursive relation of Chebyshev polynomials of the first kind, and it also constitutes a key component in overcoming the souffle problem of quantum walk-based search algorithms, for example, robust quantum walk search on complete bipartite graphs [Phys. Rev. A 106, 052207 (2022)]. Hopefully, more applications of the lemma will be found in the future.

We prove stability for a class of heterogeneous catalysis models in the L_p-setting. We consider a setting in a finite three-dimensional pore of cylinder-like geometry, with the lateral walls acting as a catalytic surface. Under a reasonable condition on the involved parameters, we show that given equilibria are normally stable, i.e. solutions are attracted at an exponential rate. The potential incidence of instability is discussed as well.

Large language models (LLMs) have exhibited their problem-solving abilities in mathematical reasoning. Solving realistic optimization (OPT) problems in application scenarios requires advanced and applied mathematics ability. However, current OPT benchmarks that merely solve linear programming are far from complex realistic situations. In this work, we propose OptiBench, a benchmark for End-to-end optimization problem-solving with human-readable inputs and outputs. OptiBench contains rich optimization problems, including linear and nonlinear programming with or without tabular data, which can comprehensively evaluate LLMs' solving ability. In our benchmark, LLMs are required to call a code solver to provide precise numerical answers. Furthermore, to alleviate the data scarcity for optimization problems, and to bridge the gap between open-source LLMs on a small scale (e.g., Llama-3-8b) and closed-source LLMs (e.g., GPT-4), we further propose a data synthesis method namely ReSocratic. Unlike general data synthesis methods that proceed from questions to answers, \ReSocratic first incrementally synthesizes formatted optimization demonstration with mathematical formulations step by step and then back-translates the generated demonstrations into questions. Based on this, we synthesize the ReSocratic-29k dataset. We further conduct supervised fine-tuning with ReSocratic-29k on multiple open-source models. Experimental results show that ReSocratic-29k significantly improves the performance of open-source models.

We show that a simple gravitational theory can provide a holographically dual description of a superconductor. There is a critical temperature, below which a charged condensate forms via a second order phase transition and the (DC) conductivity becomes infinite. The frequency dependent conductivity develops a gap determined by the condensate. We find evidence that the condensate consists of pairs of quasiparticles.