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Shashwat Sourav

Publications and source records attributed to Shashwat Sourav.

15 recordsLinked to original sources

What AstroPT knows about galaxies, and what that can teach us about LLMs

Interpretability research increasingly asks when concepts emerge during training and whether linear probes recover real structure, but in language models these claims are hard to validate because language offers little ground-truth ordering of concepts or relationships among them. We propose the use of astronomical ground truth through AstroPT, a transformer trained on millions of galaxy images, as a calibration testbed. AstroPT is an LLM-like model trained within a domain where the difficulty ordering of concepts and the relations among them are known in advance. Probing frozen representations across checkpoints, layers, model sizes, and objective choices, we find that galaxy properties emerge in a fixed order that tracks their known difficulty---quantities written almost directly into the pixels (band magnitude) become decodable early in training and shallow in the network, while multiband/spectra based and inferred quantities (such as redshift and specific star formation rate) emerge later and deeper. This order is invariant to our tested training objectives, and scales in magnitude but not in sequence with capacity. Our linear probe directions further recover the known physical structure among galaxy properties. Our findings suggest that astronomy offers a controlled sandbox for calibrating mechanistic interpretability methods we otherwise apply to LLMs blind.

cs.LG

The Tell-Tale Trace: Detecting Reasoning Failures in LLMs Using Chain-of-Thought Dynamics

Chain-of-thought (CoT) reasoning improves large language model (LLM) performance while also providing an observable interface to the model's reasoning process. Existing approaches that leverage verbalized CoTs to monitor reasoning correctness, however, largely evaluate the semantic correctness or consistency of individual intermediate steps, rather than how the reasoning process evolves across the trace. As a result, failures distributed across the reasoning trajectory, rather than those localized to a single incorrect step, remain comparatively underexplored. Furthermore, verbalized CoTs need not faithfully reflect the model's internal reasoning, motivating analyses that do not treat individual statements as literal accounts of internal computation. In this work, we therefore ask whether the dynamics of visible CoT can be leveraged to systematically distinguish successful from failed reasoning without assuming such semantic faithfulness. We study a range of LLMs on verifiable Boolean satisfiability tasks with variable complexity, enabling controlled comparisons near each model's capability frontier. Tagging CoT sentences by reasoning function reveals premature verification collapse on SAT problems: incorrect traces enter clause checking earlier, repeat similar operations, and finalize sooner. On UNSAT problems, models presumptuously move towards incorrect SAT conclusions, checking candidate assignments rather than deriving contradictions across constructed cases. Subsequently, a targeted proof-search prompt intervention raises Llama3-70B accuracy from 13.3% to 85%, correcting 84.6% of these errors. These results show that capability failures can manifest as distributed, task-dependent changes in the structure of visible reasoning, and that CoT dynamics agnostic to whether the verbalized trace reflects the model's internal computations can help diagnose and correct failures.

cs.LG

Visualizing Graph-to-Answer Mechanism Recovery in Materials-Science Hypothesis Generation

AI co-scientists can generate fluent materials-science hypotheses, but fluency does not show that an answer preserves a scientifically meaningful mechanism. We present a graph-to-answer mechanism-tracing case study for Graph-PRefLexOR-8B, a Qwen3-8B model adapted to expose distinct stages for brainstorming, graph construction, pattern extraction, and synthesis. We organize semantic backtracking, graph corruption, activation-based recovery measurements, and layer-by-token-region grids into a visual diagnostic workflow for inspecting this pathway. Across 100 open-ended materials-science questions, final answers remain closest to the model's own structured stages, especially synthesis. Under graph corruption, a full sweep over 37 residual-stream checkpoints, the embedding output and 36 transformer blocks, shows little mechanism recovery in the earlier transition region at layers 7--10, recovery instead concentrates in late synthesis and answer-start regions around layers 30 and 36. The workflow is intended to help scientists and model developers identify where a generated hypothesis loses or regains mechanism support before it is passed to downstream experimental planning.

cs.CL

Graph-Native Reinforcement Learning Enables Traceable Scientific Hypothesis Generation through Conceptual Recombination

Accelerating materials discovery requires AI systems that can generate scientifically valid hypotheses through multi-step, domain-grounded reasoning. Standard large language models often produce fluent but weakly traceable responses to open-ended materials design problems, making it difficult to determine whether final answers are supported by coherent intermediate reasoning. We develop Graph-PRefLexOR, a family of graph-native reasoning models fine-tuned with Group Relative Policy Optimization (GRPO) to organize reasoning into explicit phases for mechanism exploration, graph construction, pattern extraction, and hypothesis synthesis. This design links neural language generation with symbolic relational structure, enabling causal connections to be constructed, inspected, and reused. On 100 open-ended questions from materials science and mechanics literature, Graph-PRefLexOR achieves 40-65% improvements over corresponding base models, with the largest gains in reasoning traceability. Embedding analyses show broader semantic exploration and approximately 2-3 times greater semantic diversity than baselines. Semantic backtracking and layer-wise hidden-state analyses further show stronger alignment between structured reasoning and final answers. Finally, test-time graph expansion reveals that additional compute primarily increases long-range conceptual recombination within a bounded semantic space, rather than simply expanding semantic coverage. These results establish graph-native reinforcement learning as a pathway toward interpretable AI systems for scientific hypothesis generation in materials design and other scientific applications.

cs.AI

Matter to Mechanism: A Benchmark for AI Co-Scientists in Materials and Battery Research

AI co-scientists are increasingly used for scientific discovery, but current evaluations still do not test them on a key task: moving from a concrete scientific or technological problem to a plausible, mechanism-grounded solution hypothesis. This gap is especially important in materials science and, in particular, battery research, where a useful proposal must identify the relevant failure mode, propose a credible intervention, and explain why that intervention should improve the target property. We introduce Matter to Mechanism, a benchmark for evaluating AI co-scientists on problem-to-hypothesis reasoning in materials science, with a focus on battery materials research. The benchmark contains 2,645 instances derived from scientific publications. Each instance includes a structured problem statement, a candidate solution hypothesis, an explicit reasoning trace, and domain-grounded annotations such as material system, component, failure mode, intervention, mechanism, target property, and claimed outcome. We also introduce a metric suite that measures reasoning fidelity, problem alignment, mechanistic specificity, novelty, plausibility, and problem decomposition quality, and combine them into a composite score. Using this framework, we evaluate several AI co-scientist systems and show that Matter to Mechanism reveals interpretable system differences that are only partially recovered by standard text-similarity metrics. We further show through adversarial stress tests that the aggregate score is more stable than individual metric dimensions under superficial gaming attacks.

cs.CE

The Compressive Knowledge Graph Hypothesis: Which Graph Facts Matter for Scientific Hypothesis Generation?

Knowledge graphs (KGs) can provide structured scientific context to language models, but it remains unclear which graph facts actually shape the generated hypotheses. We study KG-guided hypothesis generation for battery materials across Mistral-7B, Llama-3.1-70B, and Gemini 2.5 Flash. We perturb local KGs by varying density, ontology richness, topology, and control structure, and evaluate outputs with both provided-graph and fixed-reference metrics. Across models, KG utility is selective and model-dependent: graph context changes outputs, but no-KG outputs also recover substantial graph content from model priors. Compact top-k subgraphs often approximate full-KG behavior, including when claimed-outcome triples are held out. At the same time, compression is not unique to one semantic ranking rule, random and topology-based subsets can also recover much of the signal. These results support a redundancy-aware Compressive KG hypothesis: useful KG signal is often recoverable from compact, scientifically structured subgraphs rather than requiring the full local graph.

cs.AI

f-INE: A Hypothesis Testing Framework for Estimating Influence under Training Randomness

Influence estimation methods promise to explain and debug machine learning by estimating the impact of individual samples on the final model. Yet, existing methods collapse under training randomness: the same example may appear critical in one run and irrelevant in the next. Such instability undermines their use in data curation or cleanup since it is unclear if we indeed deleted/kept the correct datapoints. To overcome this, we introduce *f-influence* -- a new influence estimation framework grounded in hypothesis testing that explicitly accounts for training randomness, and establish desirable properties that make it suitable for reliable influence estimation. We also design a highly efficient algorithm **f**-**IN**fluence **E**stimation (**f-INE**) that computes f-influence **in a single training run**. Finally, we scale up f-INE to estimate influence of instruction tuning data on Llama-3.1-8B and show it can reliably detect poisoned samples that steer model opinions, demonstrating its utility for data cleanup and attributing model behavior.

cs.LG

Covariant Energy Density Functionals for Neutron Star Matter Equation of State Modeling: Cross-Comparison Analysis Using \texttt{CompactObject}

This study analyzes and contrasts different phenomenological methods used to model the nuclear equation of state (EOS) for neutron star matter based on covariant energy density functionals (CEDF). Using two complementary methodologies, we seek to capture a comprehensive picture of the potential behaviors of ultra-dense nucleonic matter and identify the most plausible models based on current observational and experimental constraints. Observational data from radio pulsar timing, gravitational wave detection of GW170817, and X-ray timing provide critical benchmarks for testing the models. We have derived the EOS posteriors for various CEDF models within the \texttt{CompactObject} package, utilizing recent observational data on neutron stars, state-of-the-art theoretical constraints from chiral effective field theory ($χ$EFT) calculations for pure neutron matter at low densities, and pQCD-derived constraints. Our analysis has demonstrated that while all considered CEDF models broadly reproduce current astrophysical and theoretical constraints, subtle yet important differences persist among them, with each framework exhibiting distinct characteristics at supra-nuclear density. This is in particular true for the proton fraction inside neutron stars, but also supported by the models' behavior with respect to the pure neutron matter EOS and the density dependence of the speed of sound. Our study highlights the sensitivity of dense matter predictions to the underlying EOS parameterizations and the priors considered.

nucl-th

The Platonic Universe: Do Foundation Models See the Same Sky?

We test the Platonic Representation Hypothesis (PRH) in astronomy by measuring representational convergence across a range of foundation models trained on different data types. Using spectroscopic and imaging observations from JWST, HSC, Legacy Survey, and DESI, we compare representations from vision transformers, self-supervised models, and astronomy-specific architectures via mutual $k$-nearest neighbour analysis. We observe consistent scaling: representational alignment generally increases with model capacity across our tested architectures, supporting convergence toward a shared representation of galaxy astrophysics. Our results suggest that astronomical foundation models can use pre-trained general-purpose architectures, allowing us to capitalise on the broader machine learning community's already-spent computational investment.

astro-ph.IM

Cosmology-informed Neural Networks to infer dark energy equation-of-state

We present a framework that combines physics-informed neural networks (PINNs) with Markov Chain Monte Carlo (MCMC) inference to constrain dynamical dark energy models using the Pantheon+ Type Ia supernova compilation. First, we train a physics-informed neural network to learn the solution of the Friedmann equation and accurately reproduce the matter density term x_m(z) = Omega_m,0 (1+z)^3 across a range of Omega_m,0. For each of five two-parameter equation-of-state (EoS) forms: Chevallier-Polarski-Linder (CPL), Barboza-Alcaniz (BA), Jassal-Bagla-Padmanabhan (JBP), Linear-z, and Logarithmic-z, we derive the analytic dark energy factor x_de(z), embed the trained surrogate within a GPU-accelerated likelihood pipeline, and sample the posterior of (h0, Omega_m,0, w0, wa, M0) using the emcee ensemble sampler with the full Pantheon+ covariance. All parameterizations remain consistent with a cosmological constant (w0 = -1, wa = 0) at the 95% credible level, with the tightest bounds from the CPL form. While the surrogate does not reduce computation time for a single run in simple models, it becomes advantageous for repeated analyses of the same EoS or for models with expensive likelihood evaluations, and can be shared as a reusable tool with different datasets within the training range of SNe redshifts. This flexibility makes the approach a scalable tool for future cosmological inference, especially in regimes where conventional ODE-based methods are computationally prohibitive.

astro-ph.CO

Constraining first-order phase transition inside neutron stars with application of Bayesian techniques on PSR J0437-4715 NICER data

Understanding the existence of exotic matter phases and phase transitions within the core of neutron stars is crucial to advancing our knowledge of cold-dense matter physics. Recent multi-messenger observations, including gravitational waves from neutron star mergers and precise X-ray data from NASA's Neutron Star Interior Composition Explorer (NICER) mission, have significantly constrained the neutron star equation of state (EOS). This study investigates the effects of phase transitions in neutron stars, focusing on NICER's latest observation of PSR J0437--4715. We employ Bayesian inference techniques to evaluate the presence of first-order phase transitions using a piecewise polytropic EOS model. Our analysis incorporates data from multiple NICER sources, to refine constraints on key phase transition parameters, including critical density and transition depth. We find that including data from PSR J0437--4715 improves the evidence of phase transitions and tightens the EOS constraints, especially at higher densities. However, Bayes factor analysis only indicates a slight preference for models without phase transitions and current observational precision is insufficient to draw definitive conclusions. In particular, this polytropic model identifies the critical phase transition mass of neutron stars as being close to 1.4 solar masses, which coincides with the approximate mass range of PSR J0437--4715. This work emphasizes the importance of precise measurements of PSR J0437--4715 for deepening our understanding of neutron star interiors and exploring potential new physics at extreme densities.

astro-ph.HE

A Survey on Hypothesis Generation for Scientific Discovery in the Era of Large Language Models

Hypothesis generation is a fundamental step in scientific discovery, yet it is increasingly challenged by information overload and disciplinary fragmentation. Recent advances in Large Language Models (LLMs) have sparked growing interest in their potential to enhance and automate this process. This paper presents a comprehensive survey of hypothesis generation with LLMs by (i) reviewing existing methods, from simple prompting techniques to more complex frameworks, and proposing a taxonomy that categorizes these approaches; (ii) analyzing techniques for improving hypothesis quality, such as novelty boosting and structured reasoning; (iii) providing an overview of evaluation strategies; and (iv) discussing key challenges and future directions, including multimodal integration and human-AI collaboration. Our survey aims to serve as a reference for researchers exploring LLMs for hypothesis generation.

cs.CL

CompactObject: An open-source Python package for full-scope neutron star equation of state inference

The CompactObject package is an open-source software framework developed to constrain the neutron star equation of state (EOS) through Bayesian statistical inference. It integrates astrophysical observational constraints from X-ray timing, gravitational wave events, and radio measurements, as well as nuclear experimental constraints derived from perturbative Quantum Chromodynamics (pQCD) and Chiral Effective Field Theory ($χ$EFT). The package supports a diverse range of EOS models, including meta-model like and several physics-motivated EOS models. It comprises three independent components: an EOS generator module that currently provides seven EOS choices, a Tolman-Oppenheimer-Volkoff (TOV) equation solver, that allows the determination of the Mass Radius and Tidal deformability as observables, and a comprehensive Bayesian inference workflow module, including a complete pipeline for implementing EOS Bayesian inference. Each component can be used independently in different scientific research contexts, such as nuclear physics and astrophysics. In addition, CompactObject is designed to work in synergy with existing software such as CompOSE, allowing the use of the CompOSE EOS database to extend the EOS options available.

astro-ph.HE

Partially Blinded Unlearning: Class Unlearning for Deep Networks a Bayesian Perspective

In order to adhere to regulatory standards governing individual data privacy and safety, machine learning models must systematically eliminate information derived from specific subsets of a user's training data that can no longer be utilized. The emerging discipline of Machine Unlearning has arisen as a pivotal area of research, facilitating the process of selectively discarding information designated to specific sets or classes of data from a pre-trained model, thereby eliminating the necessity for extensive retraining from scratch. The principal aim of this study is to formulate a methodology tailored for the purposeful elimination of information linked to a specific class of data from a pre-trained classification network. This intentional removal is crafted to degrade the model's performance specifically concerning the unlearned data class while concurrently minimizing any detrimental impacts on the model's performance in other classes. To achieve this goal, we frame the class unlearning problem from a Bayesian perspective, which yields a loss function that minimizes the log-likelihood associated with the unlearned data with a stability regularization in parameter space. This stability regularization incorporates Mohalanobis distance with respect to the Fisher Information matrix and $l_2$ distance from the pre-trained model parameters. Our novel approach, termed \textbf{Partially-Blinded Unlearning (PBU)}, surpasses existing state-of-the-art class unlearning methods, demonstrating superior effectiveness. Notably, PBU achieves this efficacy without requiring awareness of the entire training dataset but only to the unlearned data points, marking a distinctive feature of its performance.

cs.LG

A Bayesian Learning, Greedy agglomerative clustering approach and evaluation techniques for Author Name Disambiguation Problem

Author names often suffer from ambiguity owing to the same author appearing under different names and multiple authors possessing similar names. It creates difficulty in associating a scholarly work with the person who wrote it, thereby introducing inaccuracy in credit attribution, bibliometric analysis, search-by-author in a digital library, and expert discovery. A plethora of techniques for disambiguation of author names has been proposed in the literature. I try to focus on the research efforts targeted to disambiguate author names. I first go through the conventional methods, then I discuss evaluation techniques and the clustering model which finally leads to the Bayesian learning and Greedy agglomerative approach. I believe this concentrated review will be useful for the research community because it discusses techniques applied to a very large real database that is actively used worldwide. The Bayesian and the greedy agglomerative approach used will help to tackle AND problems in a better way. Finally, I try to outline a few directions for future work

cs.DL